Diff of the two buildlogs: -- --- b1/build.log 2024-05-06 15:44:59.652618537 +0000 +++ b2/build.log 2024-05-06 16:36:59.939937444 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Jun 8 09:54:03 -12 2025 -I: pbuilder-time-stamp: 1749419643 +I: Current time: Tue May 7 05:45:04 +14 2024 +I: pbuilder-time-stamp: 1715010304 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -29,52 +29,84 @@ dpkg-source: info: applying sphinx-7-styles.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1102727/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/D01_modify_environment starting +debug: Running on ionos1-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 May 6 15:45 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='e24771a4f789408d82c4868df45b1811' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='1102727' - PS1='# ' - PS2='> ' + INVOCATION_ID=28b0f4b134b04c259dae9fbca555511a + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=303341 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.GJAzBulJ/pbuilderrc_DX1p --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.GJAzBulJ/b1 --logfile b1/build.log votca_2024-2.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.GJAzBulJ/pbuilderrc_VHrQ --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.GJAzBulJ/b2 --logfile b2/build.log votca_2024-2.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos5-amd64 6.6.13+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.6.13-1~bpo12+1 (2024-02-15) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-20-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.85-1 (2024-04-11) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Jun 7 14:06 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/1102727/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 5 07:42 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -679,7 +711,7 @@ Get: 495 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 496 http://deb.debian.org/debian unstable/main amd64 python3-sphinx-rtd-theme all 2.0.0+dfsg-1 [28.3 kB] Get: 497 http://deb.debian.org/debian unstable/main amd64 txt2tags all 3.4-4 [112 kB] -Fetched 482 MB in 7s (64.8 MB/s) +Fetched 482 MB in 32s (15.1 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package fonts-lato. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19699 files and directories currently installed.) @@ -2263,8 +2295,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Sun Jun 8 21:57:13 UTC 2025. -Universal Time is now: Sun Jun 8 21:57:13 UTC 2025. +Local time is now: Mon May 6 15:53:18 UTC 2024. +Universal Time is now: Mon May 6 15:53:18 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libboost-atomic1.83.0:amd64 (1.83.0-2.1+b1) ... @@ -2721,7 +2753,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/votca-2024/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../votca_2024-2_source.changes +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/votca-2024/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../votca_2024-2_source.changes dpkg-buildpackage: info: source package votca dpkg-buildpackage: info: source version 2024-2 dpkg-buildpackage: info: source distribution unstable @@ -2963,8 +2999,8 @@ CMA python module needed to run CMA regression tests * JUPYTER_NBCONVERT (required version >= 5.4.1) --- Configuring done (21.0s) --- Generating done (1.1s) +-- Configuring done (52.1s) +-- Generating done (3.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -2980,275 +3016,275 @@ debian/rules override_dh_auto_build-indep make[1]: Entering directory '/build/reproducible-path/votca-2024' dh_auto_build - cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/votca-2024 -B/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_manpage.dir/DependInfo.cmake "--color=" make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_manpage.dir/DependInfo.cmake "--color=" make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man/CMakeFiles/votca_csg_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend -make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" +make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake +make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build -make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build -make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build -make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 0%] Building csg_call manpage +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format groff --out csg_call.man +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build +[ 0%] Built target votca_tools_manpages make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend +[ 0%] Building csg_inverse manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format groff --out csg_inverse.man +[ 0%] Building xtp_basisset manpage +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_basisset --format groff --out xtp_basisset.man +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" +make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend +[ 0%] Built target votca_csg_manpages +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend +[ 1%] Building xtp_update_mapfile manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_update_mapfile --format groff --out xtp_update_mapfile.man make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build +[ 1%] Building xtp_modify_jobfile manpage +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_modify_jobfile --format groff --out xtp_modify_jobfile.man make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. +[ 1%] Building xtp_qmmm2qm manpage +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_qmmm2qm --format groff --out xtp_qmmm2qm.man make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Building xtp_autogen_mapping manpage make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_autogen_mapping --format groff --out xtp_autogen_mapping.man +[ 1%] Generating xtp_basisset +[ 1%] Generating csg_inverse +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_basisset.in2" -DOUTPUT="xtp_basisset.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_inverse.in2" -DOUTPUT="csg_inverse.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +[ 1%] Built target gitversion make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend +[ 1%] Generating xtp_update_mapfile +[ 1%] Generating csg_call +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_update_mapfile.in2" -DOUTPUT="xtp_update_mapfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_call.in2" -DOUTPUT="csg_call.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" +[ 1%] Generating xtp_modify_jobfile +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_modify_jobfile.in2" -DOUTPUT="xtp_modify_jobfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 0%] Building csg_inverse manpage -[ 0%] Building xtp_basisset manpage -[ 0%] Building csg_call manpage -[ 0%] Building xtp_modify_jobfile manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_basisset --format groff --out xtp_basisset.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format groff --out csg_inverse.man -[ 1%] Building xtp_update_mapfile manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_modify_jobfile --format groff --out xtp_modify_jobfile.man -[ 1%] Building xtp_autogen_mapping manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format groff --out csg_call.man -[ 1%] Generating csg_inverse -[ 1%] Building xtp_qmmm2qm manpage -[ 1%] Generating xtp_basisset -[ 1%] Generating csg_call -[ 1%] Generating xtp_update_mapfile -[ 1%] Built target votca_tools_manpages -[ 1%] Generating xtp_modify_jobfile -[ 1%] Generating xtp_autogen_mapping -[ 1%] Built target votca_csg_manpages -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_update_mapfile --format groff --out xtp_update_mapfile.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_autogen_mapping --format groff --out xtp_autogen_mapping.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_inverse.in2" -DOUTPUT="csg_inverse.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_qmmm2qm --format groff --out xtp_qmmm2qm.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_basisset.in2" -DOUTPUT="xtp_basisset.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_update_mapfile.in2" -DOUTPUT="xtp_update_mapfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -[ 1%] Generating xtp_qmmm2qm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_modify_jobfile.in2" -DOUTPUT="xtp_modify_jobfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_call.in2" -DOUTPUT="csg_call.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_autogen_mapping.in2" -DOUTPUT="xtp_autogen_mapping.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_qmmm2qm.in2" -DOUTPUT="xtp_qmmm2qm.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake [ 1%] Generating xtp_benchmark.install +[ 1%] Generating xtp_qmmm2qm cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_qmmm2qm.in2" -DOUTPUT="xtp_qmmm2qm.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Generating xtp_autogen_mapping make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_autogen_mapping.in2" -DOUTPUT="xtp_autogen_mapping.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 1%] Built target gitversion +[ 1%] Built target xtp_update_mapfile_build make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/depend -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target csg_call_manpage make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake "--color=" [ 1%] Built target csg_inverse_build [ 1%] Built target csg_call_build -[ 1%] Built target xtp_qmmm2qm_build -[ 1%] Built target xtp_autogen_mapping_build -[ 1%] Built target xtp_update_mapfile_build -[ 1%] Built target xtp_modify_jobfile_build [ 1%] Built target xtp_basisset_build -[ 1%] Built target xtp_benchmark_build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target xtp_modify_jobfile_build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target xtp_modify_jobfile_manpage make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o +[ 1%] Built target xtp_benchmark_build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o -MF CMakeFiles/votca_tools.dir/akimaspline.cc.o.d -o CMakeFiles/votca_tools.dir/akimaspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/akimaspline.cc +[ 1%] Built target csg_inverse_manpage [ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o -MF CMakeFiles/votca_tools.dir/application.cc.o.d -o CMakeFiles/votca_tools.dir/application.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/application.cc +[ 2%] Built target xtp_qmmm2qm_build +[ 2%] Built target xtp_autogen_mapping_build [ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/calculator.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/cubicspline.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/correlate.cc.o [ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/colors.cc.o -[ 2%] Building CXX object 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o -MF CMakeFiles/votca_tools.dir/application.cc.o.d -o CMakeFiles/votca_tools.dir/application.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/application.cc -[ 3%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/edge.cc.o +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include 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@@ -3257,612 +3293,612 @@ [ 7%] Built target votca_tools make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/depend make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg/CMakeFiles/votca_csg.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg/CMakeFiles/votca_csg.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_constants.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd 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Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o -MF CMakeFiles/votca_property.dir/votca_property.cc.o.d -o CMakeFiles/votca_property.dir/votca_property.cc.o -c /build/reproducible-path/votca-2024/tools/src/tools/votca_property.cc +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edge_base.dir/DependInfo.cmake "--color=" +[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -MF CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d -o CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_calculator.cc +[ 7%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotif.cc.o +[ 7%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadlist.cc.o +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadlist.cc.o -MF CMakeFiles/votca_csg.dir/beadlist.cc.o.d -o CMakeFiles/votca_csg.dir/beadlist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadlist.cc make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o -MF CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d -o CMakeFiles/unit_test_constants.dir/test_constants.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_constants.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotif.cc.o -MF CMakeFiles/votca_csg.dir/beadmotif.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotif.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotif.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -MF CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o.d -o CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_correlate.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o -MF CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotifalgorithms.cc +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_elements.dir/DependInfo.cmake "--color=" +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -MF CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotifconnector.cc +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o -MF CMakeFiles/votca_csg.dir/beadstructure.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructure.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructure.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o +make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_filesystem.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -MF CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o.d -o CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_crosscorrelate.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -MF CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructurealgorithms.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/DependInfo.cmake "--color=" make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/build +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -MF CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o.d -o CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_cubicspline.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -MF CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o.d -o CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_edge_base.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -MF CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o.d -o CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_datacollection.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o -MF CMakeFiles/votca_csg.dir/cgengine.cc.o.d -o CMakeFiles/votca_csg.dir/cgengine.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/cgengine.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -MF CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o.d -o CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_edgecontainer.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o -MF CMakeFiles/votca_csg.dir/boundarycondition.cc.o.d -o CMakeFiles/votca_csg.dir/boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/boundarycondition.cc +[ 10%] Building CXX object tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o -MF CMakeFiles/unit_test_elements.dir/test_elements.cc.o.d -o CMakeFiles/unit_test_elements.dir/test_elements.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_elements.cc +[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -MF CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o.d -o CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_floatingpointcomparison.cc +[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -MF CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o.d -o CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_filesystem.cc +[ 11%] Linking CXX executable unit_test_filesystem +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_filesystem.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -o unit_test_filesystem -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 11%] Linking CXX executable unit_test_floatingpointcomparison +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_floatingpointcomparison.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -o unit_test_floatingpointcomparison -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 11%] Built target unit_test_filesystem +make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -MF CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o.d -o CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphalgorithm.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Built target unit_test_floatingpointcomparison +make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_base.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -MF CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o.d -o CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graph_base.cc +[ 12%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -MF CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o.d -o CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/cgmoleculedef.cc +[ 12%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o -MF CMakeFiles/votca_csg.dir/csgapplication.cc.o.d -o CMakeFiles/votca_csg.dir/csgapplication.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/csgapplication.cc +[ 12%] Linking CXX executable unit_test_calculator +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_calculator.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -o unit_test_calculator -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Linking CXX executable unit_test_constants +[ 12%] Built target unit_test_calculator +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_constants.dir/link.txt --verbose=1 +make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/DependInfo.cmake "--color=" +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_constants.dir/test_constants.cc.o -o unit_test_constants -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -MF CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o.d -o CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graph_bf_visitor.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 14%] Linking CXX executable unit_test_correlate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_correlate.dir/link.txt --verbose=1 +[ 14%] Built target unit_test_constants +make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/depend +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -o unit_test_correlate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 14%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -MF CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o.d -o CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graph_df_visitor.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build +[ 14%] Built target unit_test_correlate +make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 14%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -MF CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o.d -o CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphdistvisitor.cc +[ 15%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/exclusionlist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/exclusionlist.cc.o -MF CMakeFiles/votca_csg.dir/exclusionlist.cc.o.d -o CMakeFiles/votca_csg.dir/exclusionlist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/exclusionlist.cc +[ 15%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/imcio.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/imcio.cc.o -MF CMakeFiles/votca_csg.dir/imcio.cc.o.d -o CMakeFiles/votca_csg.dir/imcio.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/imcio.cc +[ 15%] Linking CXX executable unit_test_edge_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_edge_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -o unit_test_edge_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 15%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/map.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/map.cc.o -MF CMakeFiles/votca_csg.dir/map.cc.o.d -o CMakeFiles/votca_csg.dir/map.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/map.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Built target unit_test_edge_base +make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o -MF CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o.d -o CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphnode.cc +[ 16%] Linking CXX executable unit_test_cubicspline +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_cubicspline.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -o unit_test_cubicspline -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 16%] Linking CXX executable unit_test_crosscorrelate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_crosscorrelate.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -o unit_test_crosscorrelate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Built target unit_test_cubicspline +make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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&& /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_elements.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_elements.dir/test_elements.cc.o -o unit_test_elements -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Built target unit_test_crosscorrelate +make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Built target unit_test_elements +make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 18%] Building CXX object tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o -MF CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o.d -o CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_histogramnew.cc +[ 18%] Building CXX object tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o -MF CMakeFiles/unit_test_identity.dir/test_identity.cc.o.d -o CMakeFiles/unit_test_identity.dir/test_identity.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_identity.cc +[ 19%] Linking CXX executable unit_test_edgecontainer +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_edgecontainer.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -o unit_test_edgecontainer -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 19%] Built target unit_test_edgecontainer +make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" +[ 19%] Linking CXX executable votca_property +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/votca_property.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/votca_property.dir/votca_property.cc.o -o votca_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 20%] Building CXX object tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -MF CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o.d -o CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_linalg.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 20%] Built target votca_property +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 22%] Building CXX object tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o -MF CMakeFiles/unit_test_name.dir/test_name.cc.o.d -o CMakeFiles/unit_test_name.dir/test_name.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_name.cc +[ 22%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/molecule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/molecule.cc.o -MF CMakeFiles/votca_csg.dir/molecule.cc.o.d -o CMakeFiles/votca_csg.dir/molecule.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/molecule.cc +[ 22%] Linking CXX executable unit_test_datacollection +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_datacollection.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -o unit_test_datacollection -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 22%] Built target unit_test_datacollection +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -MF CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o.d -o CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_objectfactory.cc +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist.cc.o -MF CMakeFiles/votca_csg.dir/nblist.cc.o.d -o CMakeFiles/votca_csg.dir/nblist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblist.cc +[ 23%] Linking CXX executable unit_test_name +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_name.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_name.dir/test_name.cc.o -o unit_test_name -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_name +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o -MF CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o.d -o CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_optionshandler.cc +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist_3body.cc.o -MF CMakeFiles/votca_csg.dir/nblist_3body.cc.o.d -o CMakeFiles/votca_csg.dir/nblist_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblist_3body.cc +[ 23%] Linking CXX executable unit_test_graphalgorithm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphalgorithm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -o unit_test_graphalgorithm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build +[ 23%] Built target unit_test_graphalgorithm +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o -MF CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d -o CMakeFiles/unit_test_constants.dir/test_constants.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_constants.cc -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o -MF CMakeFiles/unit_test_property.dir/test_property.cc.o.d -o CMakeFiles/unit_test_property.dir/test_property.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_property.cc +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid.cc.o -MF CMakeFiles/votca_csg.dir/nblistgrid.cc.o.d -o CMakeFiles/votca_csg.dir/nblistgrid.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblistgrid.cc +[ 23%] Linking CXX executable unit_test_identity +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_identity.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_identity.dir/test_identity.cc.o -o unit_test_identity -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_identity +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o -MF CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o.d -o CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_reducededge.cc +[ 23%] Linking CXX executable unit_test_objectfactory +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_objectfactory.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -o unit_test_objectfactory -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_objectfactory +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" +[ 23%] Linking CXX executable unit_test_graph_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -o unit_test_graph_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o -MF CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o.d -o CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_reducedgraph.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graph_base +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Linking CXX executable unit_test_linalg +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_linalg.dir/link.txt --verbose=1 +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK 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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -o unit_test_linalg -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 23%] Linking CXX executable unit_test_graphdistvisitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphdistvisitor.dir/link.txt --verbose=1 +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o -MF CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o.d -o CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblistgrid_3body.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -o unit_test_graphdistvisitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 23%] Built target unit_test_linalg +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o -MF CMakeFiles/unit_test_table.dir/test_table.cc.o.d -o CMakeFiles/unit_test_table.dir/test_table.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_table.cc +[ 23%] Linking CXX executable unit_test_histogramnew +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_histogramnew.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o -o unit_test_histogramnew -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 24%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nematicorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nematicorder.cc.o -MF CMakeFiles/votca_csg.dir/nematicorder.cc.o.d -o CMakeFiles/votca_csg.dir/nematicorder.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nematicorder.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build -[ 7%] Building CXX object tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build +[ 24%] Built target unit_test_graphdistvisitor +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -MF CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d -o CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_calculator.cc -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o -MF CMakeFiles/votca_property.dir/votca_property.cc.o.d -o CMakeFiles/votca_property.dir/votca_property.cc.o -c /build/reproducible-path/votca-2024/tools/src/tools/votca_property.cc +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o -MF 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Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o -MF CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o.d -o CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_tokenizer.cc +[ 24%] Linking CXX executable unit_test_graph_df_visitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_df_visitor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -o unit_test_graph_df_visitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Built target unit_test_graph_df_visitor +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Linking CXX executable unit_test_graph_bf_visitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_bf_visitor.dir/link.txt --verbose=1 +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o -MF CMakeFiles/unit_test_random.dir/test_random.cc.o.d -o CMakeFiles/unit_test_random.dir/test_random.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_random.cc +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -o unit_test_graph_bf_visitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 24%] Linking CXX executable unit_test_graphvisitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphvisitor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o -o unit_test_graphvisitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Built target unit_test_graphvisitor +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o -[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o -[ 18%] Building CXX object tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -[ 9%] Building CXX object 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tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o -MF CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o.d -o CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_akimaspline.cc +[ 24%] Built target unit_test_graph_bf_visitor +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/DependInfo.cmake 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o -MF CMakeFiles/votca_csg.dir/beadstructure.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructure.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructure.cc -[ 18%] Built target unit_test_floatingpointcomparison -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -MF CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructurealgorithms.cc -[ 18%] Linking CXX executable unit_test_name -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_name.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_name.dir/test_name.cc.o -o unit_test_name -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o -MF CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o.d -o CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_linspline.cc +[ 24%] Linking CXX executable unit_test_graphnode +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphnode.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o -o unit_test_graphnode -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_name -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o -MF CMakeFiles/votca_csg.dir/boundarycondition.cc.o.d -o CMakeFiles/votca_csg.dir/boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/boundarycondition.cc -[ 18%] Linking CXX executable unit_test_objectfactory -[ 18%] Linking CXX executable unit_test_calculator -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_calculator.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_objectfactory.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -o unit_test_objectfactory -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection 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-Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_identity.dir/test_identity.cc.o -o unit_test_identity -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 24%] Built target unit_test_graphnode +make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -MF CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o.d -o CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_unitconverter.cc +[ 24%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/openbox.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/openbox.cc.o -MF CMakeFiles/votca_csg.dir/openbox.cc.o.d -o CMakeFiles/votca_csg.dir/openbox.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/openbox.cc +[ 24%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/orthorhombicbox.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/orthorhombicbox.cc.o -MF CMakeFiles/votca_csg.dir/orthorhombicbox.cc.o.d -o CMakeFiles/votca_csg.dir/orthorhombicbox.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/orthorhombicbox.cc +[ 24%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/potentialfunctions/potentialfunction.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/potentialfunctions/potentialfunction.cc.o -MF CMakeFiles/votca_csg.dir/potentialfunctions/potentialfunction.cc.o.d -o CMakeFiles/votca_csg.dir/potentialfunctions/potentialfunction.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/potentialfunctions/potentialfunction.cc +[ 24%] Linking CXX executable unit_test_unitconverter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_unitconverter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -o unit_test_unitconverter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_calculator -[ 18%] Built target unit_test_objectfactory -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o -MF CMakeFiles/votca_csg.dir/cgengine.cc.o.d -o CMakeFiles/votca_csg.dir/cgengine.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/cgengine.cc -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -MF CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o.d -o CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/cgmoleculedef.cc +[ 24%] Built target unit_test_unitconverter +make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o -MF CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o.d -o CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_NDimVector.cc +[ 24%] Linking CXX executable unit_test_random cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_random.dir/link.txt --verbose=1 -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o -MF CMakeFiles/votca_csg.dir/csgapplication.cc.o.d -o CMakeFiles/votca_csg.dir/csgapplication.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/csgapplication.cc -[ 18%] Linking CXX executable unit_test_unitconverter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_unitconverter.dir/link.txt --verbose=1 -[ 18%] Linking CXX executable unit_test_thread -cd 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -o unit_test_unitconverter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 24%] Linking CXX executable unit_test_thread +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_thread.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_thread.dir/test_thread.cc.o -o unit_test_thread -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -[ 18%] Linking CXX executable unit_test_akimaspline -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_akimaspline.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o -o unit_test_akimaspline -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_unitconverter -[ 19%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/exclusionlist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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csg/src/libcsg/CMakeFiles/votca_csg.dir/imcio.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 19%] Built target unit_test_thread +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o -MF CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o.d -o CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_eigenio_matrixmarket.cc +[ 24%] Built target unit_test_thread +make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property_manpage.dir/DependInfo.cmake "--color=" +[ 24%] Linking CXX executable unit_test_optionshandler +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_optionshandler.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 19%] Linking CXX executable unit_test_structureparameters +make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o -o unit_test_optionshandler -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 24%] Building votca_property manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name votca_property --format groff --out votca_property.man +[ 24%] Linking CXX executable unit_test_structureparameters cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_structureparameters.dir/link.txt --verbose=1 -[ 19%] Linking CXX executable unit_test_NDimVector -[ 20%] Linking CXX executable unit_test_correlate -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_correlate.dir/link.txt --verbose=1 -[ 20%] Built target unit_test_akimaspline -[ 20%] Built target unit_test_random -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_NDimVector.dir/link.txt --verbose=1 -[ 20%] Building CXX 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 20%] Built target unit_test_NDimVector -[ 20%] Built target unit_test_structureparameters -[ 20%] Built target unit_test_correlate -[ 20%] Linking CXX executable unit_test_histogramnew -[ 20%] Linking CXX executable unit_test_linspline -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_histogramnew.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_linspline.dir/link.txt --verbose=1 -[ 20%] Linking CXX executable unit_test_linalg -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script 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/usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -[ 20%] Linking CXX executable unit_test_constants -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_constants.dir/link.txt --verbose=1 -[ 20%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid.cc.o -MF CMakeFiles/votca_csg.dir/nblistgrid.cc.o.d -o CMakeFiles/votca_csg.dir/nblistgrid.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblistgrid.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -o 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/usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 20%] Built target unit_test_constants -[ 20%] Built target unit_test_histogramnew -[ 22%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nematicorder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/version.cc.o -MF CMakeFiles/votca_csg.dir/version.cc.o.d -o CMakeFiles/votca_csg.dir/version.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/version.cc -[ 24%] Linking CXX executable unit_test_reducededge +[ 25%] Linking CXX executable unit_test_reducededge cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_reducededge.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat 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csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/dlpolytopologyreader.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/dlpolytopologyreader.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/dlpolytopologyreader.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/dlpolytopologyreader.cc -[ 24%] Linking CXX executable unit_test_graph_df_visitor -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_df_visitor.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -o unit_test_graph_df_visitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools 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../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 28%] Built target unit_test_property [ 28%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/lammpsdumpreader.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 28%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/lammpsdumpwriter.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/lammpsdumpwriter.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/lammpsdumpwriter.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/lammpsdumpwriter.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/lammpsdumpwriter.cc -[ 28%] Linking CXX executable unit_test_property -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_property.dir/link.txt --verbose=1 +[ 28%] Linking CXX executable unit_test_tokenizer +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_tokenizer.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 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csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbreader.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/pdbreader.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/pdbreader.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/pdbreader.cc -[ 28%] Built target unit_test_tokenizer -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_property.dir/test_property.cc.o -o unit_test_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a 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/usr/lib/x86_64-linux-gnu/libfftw3.so +[ 28%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/pdbwriter.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 28%] Built target unit_test_NDimVector [ 29%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/xmltopologyreader.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg 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csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/pdbwriter.cc -[ 29%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/xyzwriter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/xyzwriter.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/xyzwriter.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/xyzwriter.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/xyzwriter.cc [ 29%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/xyzreader.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/xyzreader.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/xyzreader.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/xyzreader.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/xyzreader.cc +[ 29%] Linking CXX executable unit_test_reducedgraph +cd 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/usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.83.0 -lm /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so @@ -3871,326 +3907,182 @@ [ 29%] Built target votca_csg make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/depend make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/depend -make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp/CMakeFiles/votca_xtp.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/depend -make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make 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make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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+[ 31%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/GaussianQuadratureBase.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tools/CMakeFiles/csg_map.dir/csg_map.cc.o -MF CMakeFiles/csg_map.dir/csg_map.cc.o.d -o CMakeFiles/csg_map.dir/csg_map.cc.o -c /build/reproducible-path/votca-2024/csg/src/tools/csg_map.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp 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-I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ImaginaryAxisIntegration.cc.o -MF CMakeFiles/votca_xtp.dir/ImaginaryAxisIntegration.cc.o.d -o CMakeFiles/votca_xtp.dir/ImaginaryAxisIntegration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ImaginaryAxisIntegration.cc +[ 31%] Building CXX object csg/src/tools/CMakeFiles/csg_property.dir/csg_property.cc.o +make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make 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-DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tools/CMakeFiles/csg_property.dir/csg_property.cc.o -MF CMakeFiles/csg_property.dir/csg_property.cc.o.d -o CMakeFiles/csg_property.dir/csg_property.cc.o -c /build/reproducible-path/votca-2024/csg/src/tools/csg_property.cc +[ 31%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/IndexParser.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/IndexParser.cc.o -MF CMakeFiles/votca_xtp.dir/IndexParser.cc.o.d -o CMakeFiles/votca_xtp.dir/IndexParser.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/IndexParser.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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/build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_base.cc -[ 36%] Building CXX object csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -[ 36%] Building CXX object csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -[ 36%] Building CXX object csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -MF CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d -o CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_boundarycondition.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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-ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -MF CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d -o CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_connector.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -MF CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d -o CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_algorithms.cc -make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 37%] Building CXX object csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -cd 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CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d -o CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_triplelist.cc -[ 38%] Linking CXX executable unit_test_boundarycondition -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_boundarycondition.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -o unit_test_boundarycondition -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 38%] Built target unit_test_boundarycondition -[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/anderson_mixing.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/anderson_mixing.cc.o -MF CMakeFiles/votca_xtp.dir/anderson_mixing.cc.o.d -o CMakeFiles/votca_xtp.dir/anderson_mixing.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/anderson_mixing.cc -[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aobasis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aobasis.cc.o -MF CMakeFiles/votca_xtp.dir/aobasis.cc.o.d -o CMakeFiles/votca_xtp.dir/aobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc +[ 35%] Building CXX object csg/src/tools/CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tools/CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o -MF CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o.d -o CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o -c /build/reproducible-path/votca-2024/csg/src/tools/csg_imc_solve.cc +[ 35%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomatrix.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/activedensitymatrix.cc:34: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoecp.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -4241,36 +4133,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 38%] Linking CXX executable unit_test_beadmotif_base -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_base.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -o unit_test_beadmotif_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 38%] Linking CXX executable csg_property -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_property.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_property.dir/csg_property.cc.o -o csg_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 40%] Linking CXX executable csg_resample -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_resample.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_resample.dir/csg_resample.cc.o -o csg_resample -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target unit_test_beadmotif_base -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoecp.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_property -[ 40%] Building CXX object csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -MF CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o.d -o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/partial_rdf/rdf_calculator.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_resample -make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Building CXX object csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o -MF CMakeFiles/template_serial.dir/template_serial.cc.o.d -o CMakeFiles/template_serial.dir/template_serial.cc.o -c /build/reproducible-path/votca-2024/csg/share/template/template_serial.cc -[ 40%] Linking CXX executable unit_test_beadstructure_algorithms -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_algorithms.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -o unit_test_beadstructure_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4285,65 +4147,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target unit_test_beadstructure_algorithms -make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/DependInfo.cmake "--color=" -[ 40%] Linking CXX executable unit_test_beadmotif_connector -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_connector.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -o unit_test_beadmotif_connector 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o -MF CMakeFiles/template_threaded.dir/template_threaded.cc.o.d -o CMakeFiles/template_threaded.dir/template_threaded.cc.o -c /build/reproducible-path/votca-2024/csg/share/template/template_threaded.cc -[ 40%] Linking CXX executable csg_dump -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dump.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dump.dir/csg_dump.cc.o -o csg_dump -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS 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CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomatrix.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target unit_test_beadmotif_connector -make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Building csg_property manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --format groff --out csg_property.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_property_manpage -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Building csg_resample manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample --format groff --out csg_resample.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_dump -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomultipole.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_resample_manpage -make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --format groff --out csg_dump.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_dump_manpage -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoplanewave.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::AOGaussianPrimitive; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc:150:39: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -4377,6 +4196,22 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 35%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomultipole.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/activedensitymatrix.cc:34: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -4393,21 +4228,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 41%] Linking CXX executable unit_test_beadstructure_base -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_base.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -o unit_test_beadstructure_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc:23: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4449,13 +4269,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 41%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc -[ 41%] Linking CXX executable unit_test_basebead -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basebead.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -o unit_test_basebead -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 41%] Linking CXX executable unit_test_pdbreader -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_pdbreader.dir/link.txt --verbose=1 +[ 35%] Linking CXX executable csg_property +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_property.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_property.dir/csg_property.cc.o -o csg_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 35%] Built target csg_property +make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 35%] Building CXX object csg/src/csgapps/CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -MF CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o.d -o CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/fluctuations/fluctuations.cc +[ 36%] Linking CXX executable csg_resample +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_resample.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_resample.dir/csg_resample.cc.o -o csg_resample -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4470,9 +4299,40 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -o unit_test_pdbreader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::AOGaussianPrimitive; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc:150:39: required from here +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Built target csg_resample +make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Building CXX object csg/src/csgapps/CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -MF CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o.d -o CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/orientcorr/orientcorr.cc +[ 36%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoplanewave.cc +[ 36%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/stdanalysis.cc +[ 36%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc +[ 36%] Linking CXX executable csg_dump +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dump.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dump.dir/csg_dump.cc.o -o csg_dump -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Built target csg_dump +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Building CXX object csg/src/csgapps/CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -MF CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o.d -o CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/part_dist/part_dist.cc +[ 37%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aotransform.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -4506,21 +4366,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 41%] Built target unit_test_beadstructure_base -[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aotransform.cc -[ 42%] Linking CXX executable unit_test_beadtriple -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadtriple.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -o unit_test_beadtriple -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 42%] Built target unit_test_pdbreader -[ 42%] Built target unit_test_basebead -[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aoshell.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aoshell.cc.o -MF CMakeFiles/votca_xtp.dir/aoshell.cc.o.d -o CMakeFiles/votca_xtp.dir/aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc -[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o -MF CMakeFiles/votca_xtp.dir/atom.cc.o.d -o CMakeFiles/votca_xtp.dir/atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -4537,24 +4382,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 42%] Built target unit_test_beadtriple -[ 42%] Linking CXX executable unit_test_nblistgrid_3body -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_nblistgrid_3body.dir/link.txt --verbose=1 -[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/basisset.cc.o -[ 44%] Linking CXX executable unit_test_beadmotif_algorithms -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -o unit_test_nblistgrid_3body -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc 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CMakeFiles/votca_xtp.dir/basisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/basisset.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_algorithms.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -o unit_test_beadmotif_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 44%] Linking CXX executable radii/csg_radii -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/radii.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/radii.dir/radii/radii.cc.o -o radii/csg_radii -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 37%] Linking CXX executable csg_map +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_map.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoecp.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomultipole.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -4564,6 +4398,7 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_map.dir/csg_map.cc.o -o csg_map -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4605,24 +4440,40 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -MF CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o.d -o CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bfgs_trm.cc +[ 37%] Linking CXX executable csg_gmxtopol +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_gmxtopol.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_gmxtopol.dir/csg_gmxtopol.cc.o -o csg_gmxtopol 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-Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_gmxtopol.dir/csg_gmxtopol.cc.o -o csg_gmxtopol -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 37%] Built target csg_map +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/radii.dir/radii/radii.cc.o -MF CMakeFiles/radii.dir/radii/radii.cc.o.d -o CMakeFiles/radii.dir/radii/radii.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/radii/radii.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Built target csg_gmxtopol +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Building CXX object csg/src/csgapps/CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -MF CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o.d -o CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/sphericalorder/sphericalorder.cc +[ 37%] Linking CXX executable csg_density +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_density.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_density.dir/csg_density.cc.o -o csg_density -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4638,144 +4489,33 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Built target radii -[ 44%] Built target unit_test_nblistgrid_3body -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Building CXX object csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -[ 44%] Building CXX object csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -MF CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d -o CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_tabulatedpotential.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -MF CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d -o CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bondedstatistics.cc -[ 44%] Built target unit_test_beadmotif_algorithms -make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Building csg_radii manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name radii/csg_radii --format groff --out radii.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Built target sphericalorder -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -MF CMakeFiles/votca_xtp.dir/bsecoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc -[ 45%] Built target radii_manpage -[ 45%] Built target csg_gmxtopol -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend -[ 45%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.cc -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Linking CXX executable unit_test_bead -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bead.dir/link.txt --verbose=1 -[ 45%] Building csg_sphericalorder manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name sphericalorder/csg_sphericalorder --format groff --out sphericalorder.man -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bead.dir/test_bead.cc.o -o unit_test_bead -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Linking CXX executable unit_test_interaction -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_interaction.dir/link.txt --verbose=1 -[ 45%] Linking CXX executable unit_test_nblist_3body -[ 45%] Built target sphericalorder_manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_nblist_3body.dir/link.txt --verbose=1 -make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend +[ 37%] Built target csg_density +make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -o unit_test_interaction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o -o unit_test_nblist_3body -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build +make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Building csg_gmxtopol manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_gmxtopol --format groff --out csg_gmxtopol.man -[ 45%] Linking CXX executable unit_test_csg_topology -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_csg_topology.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o -o unit_test_csg_topology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Built target csg_gmxtopol_manpage -[ 45%] Built target unit_test_bead -[ 45%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp 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/build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/einternal.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Linking CXX executable csg_map -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_map.dir/link.txt --verbose=1 -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_map.dir/csg_map.cc.o -o csg_map -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 46%] Built target unit_test_nblist_3body -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Built target unit_test_interaction -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc -[ 46%] Linking CXX executable unit_test_lammpsdatareader -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdatareader.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -o unit_test_lammpsdatareader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Linking CXX executable csg_density -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_density.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_density.dir/csg_density.cc.o -o csg_density -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Built target unit_test_csg_topology -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc -[ 46%] Built target csg_map -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/vaverage.cc -[ 48%] Linking CXX executable csg_dlptopol -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Linking CXX executable traj_force/csg_traj_force -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/traj_force.dir/link.txt --verbose=1 +[ 37%] Building CXX object csg/src/csgapps/CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o -MF CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o.d -o CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/traj_force/traj_force.cc +[ 38%] Linking CXX executable csg_dlptopol cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dlptopol.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dlptopol.dir/csg_dlptopol.cc.o -o csg_dlptopol -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o -o traj_force/csg_traj_force -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 48%] Built target unit_test_lammpsdatareader -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build +[ 38%] Built target csg_dlptopol +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Building csg_map manpage -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map --format groff --out csg_map.man -[ 48%] Built target csg_density -[ 48%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/checkpoint.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/checkpoint.cc.o -MF CMakeFiles/votca_xtp.dir/checkpoint.cc.o.d -o CMakeFiles/votca_xtp.dir/checkpoint.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc -[ 48%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -MF CMakeFiles/votca_xtp.dir/classicalsegment.cc.o.d -o CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Built target csg_map_manpage -[ 48%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o -MF CMakeFiles/votca_xtp.dir/couplingbase.cc.o.d -o CMakeFiles/votca_xtp.dir/couplingbase.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc -[ 49%] Linking CXX executable part_dist/csg_part_dist -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/part_dist.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -o part_dist/csg_part_dist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -MF CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o.d -o CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Building CXX object csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o -MF CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d -o CMakeFiles/unit_test_bead.dir/test_bead.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bead.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomultipole.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoplanewave.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -4785,9 +4525,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 50%] Linking CXX executable fluctuations/csg_fluctuations -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/fluctuations.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -o fluctuations/csg_fluctuations -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4829,34 +4566,79 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 50%] Linking CXX executable orientcorr/csg_orientcorr -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/orientcorr.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -o orientcorr/csg_orientcorr -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Built target csg_dlptopol -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" -[ 50%] Built target traj_force -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building csg_density manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_density --format groff --out csg_density.man -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -MF CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o.d -o CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/davidsonsolver.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Built target part_dist -[ 50%] Built target csg_density_manpage -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aoshell.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aoshell.cc.o -MF CMakeFiles/votca_xtp.dir/aoshell.cc.o.d -o CMakeFiles/votca_xtp.dir/aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoplanewave.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -4866,14 +4648,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -MF CMakeFiles/votca_xtp.dir/dftcoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building csg_dlptopol manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dlptopol --format groff --out csg_dlptopol.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4915,26 +4689,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Built target csg_dlptopol_manpage -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/ERIs.cc -[ 50%] Built target orientcorr -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/adiis.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/convergenceacc.cc -[ 50%] Built target fluctuations -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building csg_part_dist manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name part_dist/csg_part_dist --format groff --out part_dist.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4949,6 +4703,50 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 38%] Linking CXX executable csg_stat +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_stat.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_stat.dir/csg_stat.cc.o CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o -o csg_stat -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Built target csg_stat +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -MF CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o.d -o CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadtriple.cc +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o -MF CMakeFiles/votca_xtp.dir/atom.cc.o.d -o CMakeFiles/votca_xtp.dir/atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/basisset.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/basisset.cc.o -MF CMakeFiles/votca_xtp.dir/basisset.cc.o.d -o CMakeFiles/votca_xtp.dir/basisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/basisset.cc +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -MF CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o.d -o CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bfgs_trm.cc +[ 38%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/tabulatedpotential.cc +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +[ 38%] Linking CXX executable fluctuations/csg_fluctuations +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/fluctuations.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -o fluctuations/csg_fluctuations -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Built target fluctuations +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Building CXX object csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -MF CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o.d -o CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_basebead.cc In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] @@ -4959,18 +4757,215 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 38%] Linking CXX executable csg_reupdate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_reupdate.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_reupdate.dir/csg_reupdate.cc.o -o csg_reupdate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 38%] Linking CXX executable orientcorr/csg_orientcorr +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/orientcorr.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -o orientcorr/csg_orientcorr -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Built target part_dist_manpage -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc -[ 50%] Linking CXX executable unit_test_lammpsdumpreaderwriter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -o unit_test_lammpsdumpreaderwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 38%] Built target csg_reupdate +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -MF CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o.d -o CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_algorithms.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Built target orientcorr +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -MF CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o.d -o CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_base.cc +[ 40%] Linking CXX executable part_dist/csg_part_dist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/part_dist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -o part_dist/csg_part_dist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target part_dist +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -MF CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d -o CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_connector.cc +[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -MF CMakeFiles/votca_xtp.dir/bsecoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc +[ 40%] Linking CXX executable radii/csg_radii +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/radii.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/radii.dir/radii/radii.cc.o -o radii/csg_radii -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target radii +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -MF CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o.d -o CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_base.cc +[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/einternal.cc +[ 40%] Building CXX object csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -MF CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o.d -o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/partial_rdf/rdf_calculator.cc +[ 40%] Linking CXX executable sphericalorder/csg_sphericalorder +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/sphericalorder.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -o sphericalorder/csg_sphericalorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target sphericalorder +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -MF CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d -o CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_algorithms.cc +[ 40%] Linking CXX executable unit_test_bead +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bead.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bead.dir/test_bead.cc.o -o unit_test_bead -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Linking CXX executable unit_test_beadtriple +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadtriple.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -o unit_test_beadtriple -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Linking CXX executable traj_force/csg_traj_force +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/traj_force.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o -o traj_force/csg_traj_force -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target unit_test_bead +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o -MF CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o.d -o CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_csg_topology.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target unit_test_beadtriple +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Building CXX object csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -MF CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o.d -o CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_interaction.cc +[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target traj_force +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -MF CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o.d -o CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_lammpsdatareader.cc +[ 42%] Linking CXX executable csg_fmatch +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_fmatch.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_fmatch.dir/csg_fmatch.cc.o -o csg_fmatch -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 42%] Linking CXX executable csg_imc_solve +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_imc_solve.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o -o csg_imc_solve -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target csg_imc_solve +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -MF CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o.d -o CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_lammpsdumpreaderwriter.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target csg_fmatch +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o -MF CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o.d -o CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_nblist_3body.cc +[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/einternal.cc:19: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.h:36, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.cc:19: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5021,9 +5016,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 50%] Linking CXX executable unit_test_triplelist -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_triplelist.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -o unit_test_triplelist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5038,6 +5030,14 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target votca_csg_boltzmann +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5052,62 +5052,62 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building csg_traj_force manpage -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name traj_force/csg_traj_force --format groff --out traj_force.man -[ 50%] Built target unit_test_lammpsdumpreaderwriter -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/diis.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/embeddingengine.cc -[ 51%] Built target unit_test_triplelist -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Built target traj_force_manpage -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" -[ 51%] Building csg_fluctuations manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name fluctuations/csg_fluctuations --format groff --out fluctuations.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Building csg_orientcorr manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name orientcorr/csg_orientcorr --format groff --out orientcorr.man -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -MF CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o.d -o CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_nblistgrid_3body.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -MF CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Built target fluctuations_manpage -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -MF CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpbasisset.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Built target orientcorr_manpage -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -MF CMakeFiles/votca_xtp.dir/eeinteractor.cc.o.d -o CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -5144,7 +5144,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -5158,12 +5158,17 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 51%] Linking CXX executable csg_stat -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_stat.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_stat.dir/csg_stat.cc.o CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o -o csg_stat -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 42%] Linking CXX executable unit_test_beadmotif_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -o unit_test_beadmotif_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 42%] Linking CXX executable unit_test_basebead +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basebead.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -o unit_test_basebead -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5173,55 +5178,14 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/erdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -MF CMakeFiles/votca_xtp.dir/esp2multipole.cc.o.d -o CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Built target csg_stat -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend +[ 42%] Built target unit_test_beadmotif_base +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 53%] Building csg_stat manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_stat --format groff --out csg_stat.man -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/einternal.cc:19: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc:32: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 53%] Built target csg_stat_manpage In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5237,8 +5201,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o -MF CMakeFiles/votca_xtp.dir/espfit.cc.o.d -o CMakeFiles/votca_xtp.dir/espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5265,6 +5227,48 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -MF CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d -o CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_boundarycondition.cc +[ 42%] Linking CXX executable unit_test_beadmotif_connector +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_connector.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -o unit_test_beadmotif_connector -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target unit_test_basebead +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -MF CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o.d -o CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_pdbreader.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target unit_test_beadmotif_connector +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -MF CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d -o CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_tabulatedpotential.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5306,15 +5310,45 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.h:36, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5365,51 +5399,174 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:47: -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -/usr/include/hdf5/serial/H5File.h: In member function 'H5::H5File& H5::H5File::operator=(const H5::H5File&)': -/usr/include/hdf5/serial/H5File.h:24:17: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 24 | class H5_DLLCPP H5File : public Group { - | ^~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: note: synthesized method 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' first required here - 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); - | ^ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:77:67: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 77 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); - | ^ -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:81:69: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 81 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); - | ^ -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:83:68: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 83 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDWR, fcpList); - | ^ -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 42%] Linking CXX executable unit_test_beadstructure_algorithms +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_algorithms.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -o unit_test_beadstructure_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/vaverage.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target unit_test_beadstructure_algorithms +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 44%] Building CXX object csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -MF CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d -o CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_triplelist.cc +[ 45%] Linking CXX executable unit_test_beadstructure_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -o unit_test_beadstructure_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 45%] Built target unit_test_beadstructure_base +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 45%] Building CXX object csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o -MF CMakeFiles/template_serial.dir/template_serial.cc.o.d -o CMakeFiles/template_serial.dir/template_serial.cc.o -c /build/reproducible-path/votca-2024/csg/share/template/template_serial.cc +[ 45%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/checkpoint.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/checkpoint.cc.o -MF CMakeFiles/votca_xtp.dir/checkpoint.cc.o.d -o CMakeFiles/votca_xtp.dir/checkpoint.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc +[ 46%] Linking CXX executable unit_test_beadmotif_algorithms +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_algorithms.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -o unit_test_beadmotif_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Built target unit_test_beadmotif_algorithms +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Building CXX object csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o -MF CMakeFiles/template_threaded.dir/template_threaded.cc.o.d -o CMakeFiles/template_threaded.dir/template_threaded.cc.o -c /build/reproducible-path/votca-2024/csg/share/template/template_threaded.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5419,7 +5576,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5435,9 +5591,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5464,6 +5617,23 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc:23: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5476,9 +5646,11 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 180 | attr = loc.openAttribute(name); | ^ +[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -MF CMakeFiles/votca_xtp.dir/classicalsegment.cc.o.d -o CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5505,24 +5677,117 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc:29: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +[ 48%] Linking CXX executable unit_test_boundarycondition +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_boundarycondition.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -o unit_test_boundarycondition -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 48%] Built target unit_test_boundarycondition +make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_reupdate manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate --format groff --out csg_reupdate.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_reupdate_manpage +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_map manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map --format groff --out csg_map.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_map_manpage +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_dump manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --format groff --out csg_dump.man +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_dump_manpage +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_property manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --format groff --out csg_property.man +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -5535,6 +5800,114 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_property_manpage +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_resample manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample --format groff --out csg_resample.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_resample_manpage +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_stat manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_stat --format groff --out csg_stat.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target csg_stat_manpage +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_fmatch manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_fmatch --format groff --out csg_fmatch.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target csg_fmatch_manpage +make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:32: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_gmxtopol manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_gmxtopol --format groff --out csg_gmxtopol.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target csg_gmxtopol_manpage +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_dlptopol manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dlptopol --format groff --out csg_dlptopol.man +[ 49%] Linking CXX executable unit_test_interaction +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_interaction.dir/link.txt --verbose=1 +[ 49%] Linking CXX executable unit_test_lammpsdatareader +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdatareader.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -o unit_test_lammpsdatareader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -o unit_test_interaction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target csg_dlptopol_manpage +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_density manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_density --format groff --out csg_density.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target unit_test_interaction +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" +[ 49%] Built target csg_density_manpage +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build +[ 49%] Building csg_imc_solve manpage +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_imc_solve --format groff --out csg_imc_solve.man +[ 49%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o -MF CMakeFiles/csg_boltzmann.dir/main.cc.o.d -o CMakeFiles/csg_boltzmann.dir/main.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/main.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target csg_imc_solve_manpage +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_fluctuations manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name fluctuations/csg_fluctuations --format groff --out fluctuations.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5550,6 +5923,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5576,8 +5950,117 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +[ 49%] Built target fluctuations_manpage +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); + | ^ +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend +In file included from /usr/include/hdf5/serial/H5Cpp.h:47: +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +/usr/include/hdf5/serial/H5File.h: In member function 'H5::H5File& H5::H5File::operator=(const H5::H5File&)': +/usr/include/hdf5/serial/H5File.h:24:17: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 24 | class H5_DLLCPP H5File : public Group { + | ^~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: note: synthesized method 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' first required here + 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); + | ^ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:77:67: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 77 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); + | ^ +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:81:69: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 81 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); + | ^ +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:83:68: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 83 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDWR, fcpList); + | ^ +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target unit_test_lammpsdatareader +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" +[ 49%] Building csg_orientcorr manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name orientcorr/csg_orientcorr --format groff --out orientcorr.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_part_dist manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name part_dist/csg_part_dist --format groff --out part_dist.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target orientcorr_manpage +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 49%] Built target part_dist_manpage +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" +[ 50%] Building csg_radii manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name radii/csg_radii --format groff --out radii.man +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -5590,6 +6073,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5604,6 +6090,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 50%] Building csg_sphericalorder manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name sphericalorder/csg_sphericalorder --format groff --out sphericalorder.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target radii_manpage +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Building csg_traj_force manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name traj_force/csg_traj_force --format groff --out traj_force.man +[ 50%] Built target sphericalorder_manpage +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -5621,22 +6124,14 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 54%] Linking CXX executable template_serial -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template_serial.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Linking CXX executable unit_test_nblist_3body +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_nblist_3body.dir/link.txt --verbose=1 +[ 50%] Building CXX object csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -MF CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d -o CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bondedstatistics.cc +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o -o unit_test_nblist_3body -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5652,6 +6147,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5678,36 +6174,78 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_serial.dir/template_serial.cc.o -o template_serial -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc:29: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +[ 50%] Built target traj_force_manpage +[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o -MF CMakeFiles/votca_xtp.dir/couplingbase.cc.o.d -o CMakeFiles/votca_xtp.dir/couplingbase.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -MF CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o.d -o CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target unit_test_nblist_3body +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -MF CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o.d -o CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/davidsonsolver.cc +[ 51%] Linking CXX executable unit_test_csg_topology +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_csg_topology.dir/link.txt --verbose=1 +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o -o unit_test_csg_topology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -MF CMakeFiles/votca_xtp.dir/dftcoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target unit_test_csg_topology +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/ERIs.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -5720,6 +6258,48 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 51%] Linking CXX executable unit_test_nblistgrid_3body +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_nblistgrid_3body.dir/link.txt --verbose=1 +[ 51%] Linking CXX executable partial_rdf/csg_partial_rdf +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -o unit_test_nblistgrid_3body -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/partial_rdf.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -o partial_rdf/csg_partial_rdf -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 51%] Linking CXX executable unit_test_pdbreader +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_pdbreader.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -o unit_test_pdbreader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target unit_test_nblistgrid_3body +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/adiis.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target partial_rdf +[ 51%] Built target unit_test_pdbreader +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/convergenceacc.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Building csg_partial_rdf manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name partial_rdf/csg_partial_rdf --format groff --out partial_rdf.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target partial_rdf_manpage In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5748,6 +6328,7 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -5761,10 +6342,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 54%] Built target template_serial -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/jobcalculatorfactory.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/diis.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5779,14 +6359,14 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 51%] Linking CXX executable unit_test_lammpsdumpreaderwriter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -o unit_test_lammpsdumpreaderwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc:23: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5796,42 +6376,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5860,18 +6404,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -5885,6 +6417,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target unit_test_lammpsdumpreaderwriter +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/embeddingengine.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:41: /usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' 39 | CompType(const CompType &original); @@ -5911,7 +6459,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -5925,62 +6473,66 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 53%] Linking CXX executable template_serial +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template_serial.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_serial.dir/template_serial.cc.o -o template_serial -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -5993,6 +6545,32 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -MF CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target template_serial +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -MF CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpbasisset.cc +[ 53%] Linking CXX executable unit_test_triplelist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_triplelist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -o unit_test_triplelist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -MF CMakeFiles/votca_xtp.dir/eeinteractor.cc.o.d -o CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6008,7 +6586,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -6022,7 +6599,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -6036,6 +6612,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target unit_test_triplelist /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6050,8 +6628,17 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/erdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc +[ 53%] Linking CXX executable unit_test_tabulatedpotential +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_tabulatedpotential.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_tabulatedpotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target unit_test_tabulatedpotential +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -MF CMakeFiles/votca_xtp.dir/esp2multipole.cc.o.d -o CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -6088,7 +6675,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -6116,8 +6703,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -6154,7 +6741,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -6168,22 +6755,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -6220,7 +6793,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -6234,11 +6807,14 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 53%] Linking CXX executable template_threaded +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template_threaded.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_threaded.dir/template_threaded.cc.o -o template_threaded -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6289,6 +6865,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target template_threaded +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o -MF CMakeFiles/votca_xtp.dir/espfit.cc.o.d -o CMakeFiles/votca_xtp.dir/espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] @@ -6299,6 +6879,52 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 53%] Linking CXX executable unit_test_bondedstatistics +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bondedstatistics.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_bondedstatistics -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6313,9 +6939,51 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/embeddingengine.cc:49: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PotentialIO; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:152:44: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -6349,36 +7017,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6420,24 +7058,27 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:25: +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target unit_test_bondedstatistics +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -6478,12 +7119,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/jobcalculatorfactory.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6493,18 +7138,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc +[ 55%] Linking CXX executable csg_boltzmann +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_boltzmann.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_boltzmann.dir/main.cc.o CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o csg_boltzmann -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -6549,6 +7198,57 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/quadrature_factory.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 55%] Built target csg_boltzmann +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 55%] Building csg_boltzmann manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann --format groff --out csg_boltzmann.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 55%] Built target csg_boltzmann_manpage +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/sigmafactory.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools 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-DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_hermite_quadrature.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc:19: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -6575,49 +7275,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 54%] Linking CXX executable template_threaded -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template_threaded.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_threaded.dir/template_threaded.cc.o -o template_threaded -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -6658,8 +7317,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -6672,46 +7332,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PotentialIO; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:152:44: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.h:36, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6762,28 +7391,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/quadrature_factory.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/embeddingengine.cc:49: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6793,9 +7406,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 54%] Built target template_threaded -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/sigmafactory.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6811,22 +7421,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -6853,21 +7447,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6882,113 +7461,60 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.h:36, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc -[ 54%] Linking CXX executable csg_reupdate -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_reupdate.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_reupdate.dir/csg_reupdate.cc.o -o csg_reupdate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7025,7 +7551,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7091,17 +7617,26 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 54%] Built target csg_reupdate -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_hermite_quadrature.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7152,24 +7687,21 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 55%] Linking CXX executable partial_rdf/csg_partial_rdf -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/partial_rdf.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -o partial_rdf/csg_partial_rdf -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -7189,35 +7721,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7259,38 +7762,13 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc:22: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7300,20 +7778,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7355,16 +7819,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Built target partial_rdf -make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Building csg_reupdate manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate --format groff --out csg_reupdate.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7379,8 +7833,48 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_laguerre_quadrature.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7393,8 +7887,61 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7407,23 +7954,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Built target csg_reupdate_manpage -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_laguerre_quadrature.cc -[ 57%] Linking CXX executable csg_boltzmann -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_boltzmann.dir/link.txt --verbose=1 -[ 57%] Linking CXX executable unit_test_bondedstatistics -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bondedstatistics.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_boltzmann.dir/main.cc.o CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o csg_boltzmann -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_bondedstatistics -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/coupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7433,8 +7970,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_legendre_quadrature.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7476,11 +8011,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -MF CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_legendre_quadrature.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7493,8 +8027,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -MF CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7509,19 +8043,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 57%] Built target unit_test_bondedstatistics -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 57%] Building csg_partial_rdf manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name partial_rdf/csg_partial_rdf --format groff --out partial_rdf.man -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7534,8 +8095,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7548,19 +8110,63 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 57%] Built target partial_rdf_manpage -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o -MF CMakeFiles/votca_xtp.dir/gnode.cc.o.d -o CMakeFiles/votca_xtp.dir/gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc -[ 57%] Built target csg_boltzmann -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -MF CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/gridbox.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/fcddiabatization.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc:19: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7573,8 +8179,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o -MF CMakeFiles/votca_xtp.dir/gnode.cc.o.d -o CMakeFiles/votca_xtp.dir/gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7587,8 +8198,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7625,7 +8236,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7639,8 +8250,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7677,7 +8288,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7691,20 +8302,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -7757,46 +8354,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7809,8 +8368,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here @@ -7826,14 +8383,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 58%] Building csg_boltzmann manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann --format groff --out csg_boltzmann.man +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -7886,15 +8437,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 58%] Built target csg_boltzmann_manpage -[ 58%] Linking CXX executable csg_imc_solve -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_imc_solve.dir/link.txt --verbose=1 -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o -o csg_imc_solve -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7931,7 +8475,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7945,37 +8489,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -MF CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/gridbox.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc [ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc [ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse_operator.cc -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/fcddiabatization.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc:19: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/coupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8026,6 +8556,34 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gmhdiabatization.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc:19: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8067,43 +8625,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 58%] Built target csg_imc_solve -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 58%] Building csg_imc_solve manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_imc_solve --format groff --out csg_imc_solve.man -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 59%] Built target csg_imc_solve_manpage -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/ppm.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/rpa.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8138,9 +8661,24 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8195,13 +8733,74 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/sigma_base.cc -[ 59%] Linking CXX executable unit_test_tabulatedpotential -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_tabulatedpotential.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_tabulatedpotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o -MF CMakeFiles/votca_xtp.dir/gyration.cc.o.d -o CMakeFiles/votca_xtp.dir/gyration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8218,11 +8817,9 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc:22: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc:20: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8232,6 +8829,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse_operator.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8260,7 +8859,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -8274,105 +8872,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o -MF CMakeFiles/votca_xtp.dir/job.cc.o.d -o CMakeFiles/votca_xtp.dir/job.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/job.cc -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iqm.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc:20: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 61%] Built target unit_test_tabulatedpotential -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8407,6 +8908,80 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/sphere_lebedev_rule.h:32, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -8459,10 +9034,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -8475,6 +9048,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc:22: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8503,7 +9092,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -8517,14 +9105,13 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o -MF CMakeFiles/votca_xtp.dir/jobtopology.cc.o.d -o CMakeFiles/votca_xtp.dir/jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -MF CMakeFiles/votca_xtp.dir/kmccalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gmhdiabatization.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8575,6 +9162,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/ppm.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -8627,8 +9216,34 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -MF CMakeFiles/votca_xtp.dir/libint2_calls.cc.o.d -o CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8647,7 +9262,7 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc:26: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8657,10 +9272,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -MF CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o.d -o CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/matrixfreeoperator.cc -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -MF CMakeFiles/votca_xtp.dir/md2qmengine.cc.o.d -o CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8702,38 +9313,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o -MF CMakeFiles/votca_xtp.dir/mmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/mmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8770,7 +9351,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8836,48 +9417,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o -MF CMakeFiles/votca_xtp.dir/molden.cc.o.d -o CMakeFiles/votca_xtp.dir/molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -8890,24 +9431,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Linking CXX executable csg_fmatch -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_fmatch.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_fmatch.dir/csg_fmatch.cc.o -o csg_fmatch -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/sphere_lebedev_rule.h:32, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -8960,47 +9483,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/rpa.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/sigma_base.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9053,11 +9539,17 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o -MF CMakeFiles/votca_xtp.dir/gyration.cc.o.d -o CMakeFiles/votca_xtp.dir/gyration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o -MF CMakeFiles/votca_xtp.dir/job.cc.o.d -o CMakeFiles/votca_xtp.dir/job.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/job.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc:23: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9067,12 +9559,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o -[ 62%] Built target csg_fmatch -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o -MF CMakeFiles/votca_xtp.dir/nbo.cc.o.d -o CMakeFiles/votca_xtp.dir/nbo.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/nbo.cc -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9114,115 +9600,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc:22: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gwbse.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9232,8 +9615,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/density_integration.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9249,7 +9630,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -9263,7 +9643,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/vxc_potential.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -9279,10 +9658,9 @@ | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9333,6 +9711,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9347,67 +9741,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:29: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gwbse.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9417,6 +9755,21 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9458,33 +9811,32 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -9502,62 +9854,63 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iqm.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -MF CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o.d -o CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/openmp_cuda.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -9570,13 +9923,14 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9586,6 +9940,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o -MF CMakeFiles/votca_xtp.dir/jobtopology.cc.o.d -o CMakeFiles/votca_xtp.dir/jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9627,6 +9983,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -MF CMakeFiles/votca_xtp.dir/kmccalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gyration.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9668,6 +10040,37 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -MF CMakeFiles/votca_xtp.dir/libint2_calls.cc.o.d -o CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9720,27 +10123,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); | ^ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 180 | attr = loc.openAttribute(name); | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -9767,12 +10164,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 62%] Building csg_fmatch manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_fmatch --format groff --out csg_fmatch.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 62%] Built target csg_fmatch_manpage -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o -MF CMakeFiles/votca_xtp.dir/orbitals.cc.o.d -o CMakeFiles/votca_xtp.dir/orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -MF CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o.d -o CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/matrixfreeoperator.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9839,11 +10232,90 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gyration.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc:27: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9894,40 +10366,15 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc:34: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -MF CMakeFiles/votca_xtp.dir/md2qmengine.cc.o.d -o CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/mmregion.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9978,8 +10425,24 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc:34: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o -MF CMakeFiles/votca_xtp.dir/mmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/mmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -10014,8 +10477,40 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o -MF CMakeFiles/votca_xtp.dir/molden.cc.o.d -o CMakeFiles/votca_xtp.dir/molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -10052,23 +10547,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -10082,20 +10561,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10137,8 +10602,64 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o -MF CMakeFiles/votca_xtp.dir/orbreorder.cc.o.d -o CMakeFiles/votca_xtp.dir/orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o -MF CMakeFiles/votca_xtp.dir/nbo.cc.o.d -o CMakeFiles/votca_xtp.dir/nbo.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/nbo.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/density_integration.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -10155,20 +10676,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10210,36 +10717,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -10276,19 +10753,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -10319,19 +10783,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10346,6 +10797,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/vxc_potential.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10360,10 +10813,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -MF CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o.d -o CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:351:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -10379,12 +10846,9 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/mmregion.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -10435,70 +10899,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -MF CMakeFiles/votca_xtp.dir/pmlocalization.cc.o.d -o CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/pmlocalization.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o -MF CMakeFiles/votca_xtp.dir/polarregion.cc.o.d -o CMakeFiles/votca_xtp.dir/polarregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarregion.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -10535,7 +10937,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -10549,13 +10951,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o -MF CMakeFiles/votca_xtp.dir/polarsite.cc.o.d -o CMakeFiles/votca_xtp.dir/polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc:4: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc:19: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -10565,57 +10969,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10657,11 +11010,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -10674,20 +11024,63 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -MF CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o.d -o CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/openmp_cuda.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc:4: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10738,85 +11131,8 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -MF CMakeFiles/votca_xtp.dir/populationanalysis.cc.o.d -o CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/populationanalysis.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:351:4: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -10853,7 +11169,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -10867,9 +11183,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -10903,52 +11220,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o -MF CMakeFiles/votca_xtp.dir/progressobserver.cc.o.d -o CMakeFiles/votca_xtp.dir/progressobserver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/progressobserver.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc:22: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, @@ -10978,8 +11249,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o -MF CMakeFiles/votca_xtp.dir/qmatom.cc.o.d -o CMakeFiles/votca_xtp.dir/qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -11006,6 +11275,37 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc:22: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11061,24 +11361,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -MF CMakeFiles/votca_xtp.dir/qmcalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmcalculator.cc -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -MF CMakeFiles/votca_xtp.dir/qmmolecule.cc.o.d -o CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -11131,48 +11413,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o -MF CMakeFiles/votca_xtp.dir/qmnblist.cc.o.d -o CMakeFiles/votca_xtp.dir/qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmnblist.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11185,82 +11427,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11273,6 +11441,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o -MF CMakeFiles/votca_xtp.dir/orbitals.cc.o.d -o CMakeFiles/votca_xtp.dir/orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -11325,9 +11495,191 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o -MF CMakeFiles/votca_xtp.dir/orbreorder.cc.o.d -o CMakeFiles/votca_xtp.dir/orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -MF CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o.d -o CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -MF CMakeFiles/votca_xtp.dir/pmlocalization.cc.o.d -o CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/pmlocalization.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o -MF CMakeFiles/votca_xtp.dir/polarregion.cc.o.d -o CMakeFiles/votca_xtp.dir/polarregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarregion.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o -MF CMakeFiles/votca_xtp.dir/polarsite.cc.o.d -o CMakeFiles/votca_xtp.dir/polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -MF CMakeFiles/votca_xtp.dir/populationanalysis.cc.o.d -o CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/populationanalysis.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o -MF CMakeFiles/votca_xtp.dir/progressobserver.cc.o.d -o CMakeFiles/votca_xtp.dir/progressobserver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/progressobserver.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o -MF CMakeFiles/votca_xtp.dir/qmatom.cc.o.d -o CMakeFiles/votca_xtp.dir/qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /usr/include/libint2/engine.impl.h:34, + from /usr/include/libint2/engine.h:1020, + from /usr/include/libint2/cxxapi.h:45, + from /usr/include/libint2.hpp:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc:30: +/usr/include/libint2/boys.h: In constructor 'libint2::TennoGmEval::TennoGmEval(unsigned int, Real)': +/usr/include/libint2/boys.h:875: note: '-Wmisleading-indentation' is disabled from this point onwards, since column-tracking was disabled due to the size of the code/headers + 875 | if (mmax > cheb_table_mmax) + | +/usr/include/libint2/boys.h:875: note: adding '-flarge-source-files' will allow for more column-tracking support, at the expense of compilation time and memory +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -MF CMakeFiles/votca_xtp.dir/qmcalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmcalculator.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -MF CMakeFiles/votca_xtp.dir/qmmolecule.cc.o.d -o CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:635:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:654:20: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -11361,10 +11713,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:656:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11377,6 +11728,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o -MF CMakeFiles/votca_xtp.dir/qmnblist.cc.o.d -o CMakeFiles/votca_xtp.dir/qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmnblist.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -11429,13 +11782,26 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/polarregion.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/parallelxjobcalc.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -11447,8 +11813,11 @@ | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/polarregion.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -11542,85 +11911,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -11635,25 +11925,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/parallelxjobcalc.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11683,47 +11954,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -11750,24 +11980,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:635:4: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:654:20: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -11801,9 +12016,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:656:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11816,6 +12032,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] @@ -11826,6 +12044,24 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o -MF CMakeFiles/votca_xtp.dir/qmpair.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpair.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11841,6 +12077,19 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:27: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o -MF CMakeFiles/votca_xtp.dir/qmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/qmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmregion.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, @@ -11856,8 +12105,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11899,8 +12146,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11950,42 +12236,22 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o -MF CMakeFiles/votca_xtp.dir/qmstate.cc.o.d -o CMakeFiles/votca_xtp.dir/qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmstate.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -12057,38 +12323,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o -MF CMakeFiles/votca_xtp.dir/qmpair.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpair.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -12141,16 +12375,16 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o -MF CMakeFiles/votca_xtp.dir/qmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/qmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmregion.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackage.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -12168,48 +12402,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o -MF CMakeFiles/votca_xtp.dir/qmstate.cc.o.d -o CMakeFiles/votca_xtp.dir/qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmstate.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -12222,7 +12417,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:28: +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -12263,25 +12458,48 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmtool.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmtool.cc.o -MF CMakeFiles/votca_xtp.dir/qmtool.cc.o.d -o CMakeFiles/votca_xtp.dir/qmtool.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmtool.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -12296,26 +12514,14 @@ | ^~~~~~~~~ [ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/rate_engine.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/rate_engine.cc.o -MF CMakeFiles/votca_xtp.dir/rate_engine.cc.o.d -o CMakeFiles/votca_xtp.dir/rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ [ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/region.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/region.cc.o -MF CMakeFiles/votca_xtp.dir/region.cc.o.d -o CMakeFiles/votca_xtp.dir/region.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/region.cc +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o -MF CMakeFiles/votca_xtp.dir/segment.cc.o.d -o CMakeFiles/votca_xtp.dir/segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackage.cc:26: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc:40: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -12325,8 +12531,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o -MF CMakeFiles/votca_xtp.dir/segment.cc.o.d -o CMakeFiles/votca_xtp.dir/segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12368,60 +12572,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -MF CMakeFiles/votca_xtp.dir/segmentmapper.cc.o.d -o CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -12474,72 +12624,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /usr/include/libint2/engine.impl.h:34, - from /usr/include/libint2/engine.h:1020, - from /usr/include/libint2/cxxapi.h:45, - from /usr/include/libint2.hpp:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc:30: -/usr/include/libint2/boys.h: In constructor 'libint2::TennoGmEval::TennoGmEval(unsigned int, Real)': -/usr/include/libint2/boys.h:875: note: '-Wmisleading-indentation' is disabled from this point onwards, since column-tracking was disabled due to the size of the code/headers - 875 | if (mmax > cheb_table_mmax) - | -/usr/include/libint2/boys.h:875: note: adding '-flarge-source-files' will allow for more column-tracking support, at the expense of compilation time and memory -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmregion.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmregion.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_exact.cc +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -MF CMakeFiles/votca_xtp.dir/segmentmapper.cc.o.d -o CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -12596,49 +12696,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmregion.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmregion.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_ppm.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc:40: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12654,6 +12711,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -12680,6 +12751,24 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_exact.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -12732,6 +12821,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12791,7 +12895,9 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -12842,22 +12948,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/polarregion.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/region.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12872,66 +12962,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -12965,39 +13012,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:46:4: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13010,66 +13028,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o -MF CMakeFiles/votca_xtp.dir/stateapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/stateapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc:33: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13104,69 +13064,40 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_ppm.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -MF CMakeFiles/votca_xtp.dir/statefilter_base.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilter_base.cc -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13203,7 +13134,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13217,42 +13148,27 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segmentmapper.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/polarregion.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/region.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13303,8 +13219,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13317,10 +13234,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o -MF CMakeFiles/votca_xtp.dir/stateapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/stateapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13387,9 +13302,26 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -MF CMakeFiles/votca_xtp.dir/statefilter_base.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilter_base.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -13423,24 +13355,26 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:46:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13453,9 +13387,19 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13470,9 +13414,10 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segmentmapper.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13523,16 +13468,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o -MF CMakeFiles/votca_xtp.dir/statesaver.cc.o.d -o CMakeFiles/votca_xtp.dir/statesaver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o -MF CMakeFiles/votca_xtp.dir/statetracker.cc.o.d -o CMakeFiles/votca_xtp.dir/statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statetracker.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o -MF CMakeFiles/votca_xtp.dir/staticsite.cc.o.d -o CMakeFiles/votca_xtp.dir/staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -MF CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o.d -o CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/symmetric_matrix.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13583,15 +13522,47 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/stateapplication.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13601,10 +13572,51 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o -MF CMakeFiles/votca_xtp.dir/statesaver.cc.o.d -o CMakeFiles/votca_xtp.dir/statesaver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13617,6 +13629,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/stateapplication.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13658,8 +13688,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13696,7 +13740,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13710,26 +13754,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o -MF CMakeFiles/votca_xtp.dir/threecenter.cc.o.d -o CMakeFiles/votca_xtp.dir/threecenter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/threecenter.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -MF CMakeFiles/votca_xtp.dir/tools/apdft.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/apdft.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13766,7 +13792,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13780,8 +13806,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -MF CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -13834,7 +13858,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -13849,9 +13872,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -MF CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gencube.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o -MF CMakeFiles/votca_xtp.dir/statetracker.cc.o.d -o CMakeFiles/votca_xtp.dir/statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statetracker.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13893,13 +13915,13 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o -MF CMakeFiles/votca_xtp.dir/staticsite.cc.o.d -o CMakeFiles/votca_xtp.dir/staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13950,12 +13972,26 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13965,10 +14001,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -MF CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/molpol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13984,64 +14016,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14085,38 +14059,35 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14127,8 +14098,22 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -14138,10 +14123,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -MF CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o -MF CMakeFiles/votca_xtp.dir/topology.cc.o.d -o CMakeFiles/votca_xtp.dir/topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -14183,30 +14164,53 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:68:4: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statesaver.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -14257,6 +14261,142 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -MF CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o.d -o CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/symmetric_matrix.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:68:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:174:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statesaver.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14309,48 +14449,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o -MF CMakeFiles/votca_xtp.dir/transition_densities.cc.o.d -o CMakeFiles/votca_xtp.dir/transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o -MF CMakeFiles/votca_xtp.dir/trustregion.cc.o.d -o CMakeFiles/votca_xtp.dir/trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/trustregion.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -14392,10 +14490,53 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o -MF CMakeFiles/votca_xtp.dir/version.cc.o.d -o CMakeFiles/votca_xtp.dir/version.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/version.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:56:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o -MF CMakeFiles/votca_xtp.dir/threecenter.cc.o.d -o CMakeFiles/votca_xtp.dir/threecenter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/threecenter.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -14432,7 +14573,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -14446,8 +14587,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -14484,7 +14625,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -14498,20 +14639,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14528,6 +14661,9 @@ /usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' 39 | CompType(const CompType &original); | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -14545,9 +14681,33 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here 42 | class CptTable { | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -14564,9 +14724,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:56:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14579,8 +14743,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14593,64 +14795,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:24: +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -MF CMakeFiles/votca_xtp.dir/tools/apdft.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/apdft.cc +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -MF CMakeFiles/votca_xtp.dir/xtpapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/xtpapplication.cc +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -MF CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -MF CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gencube.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -14706,21 +14868,18 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -MF CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/molpol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -MF CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14787,6 +14946,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o -MF CMakeFiles/votca_xtp.dir/topology.cc.o.d -o CMakeFiles/votca_xtp.dir/topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14839,39 +15000,48 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/polarregion.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o -MF CMakeFiles/votca_xtp.dir/transition_densities.cc.o.d -o CMakeFiles/votca_xtp.dir/transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:174:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14884,21 +15054,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o -MF CMakeFiles/votca_xtp.dir/trustregion.cc.o.d -o CMakeFiles/votca_xtp.dir/trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/trustregion.cc +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o -MF CMakeFiles/votca_xtp.dir/version.cc.o.d -o CMakeFiles/votca_xtp.dir/version.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/version.cc +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -MF CMakeFiles/votca_xtp.dir/xtpapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/xtpapplication.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -14912,32 +15073,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -14983,6 +15118,22 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/polarregion.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc:23: @@ -15039,6 +15190,20 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc:18: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc:33: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': @@ -15091,77 +15256,30 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc:18: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); @@ -15172,10 +15290,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -15198,48 +15312,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc:30: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -15266,35 +15338,17 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc:7: +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:36, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:29: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -15363,17 +15417,35 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:36, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:30: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:29: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15426,6 +15498,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -15466,8 +15552,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:185:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -15480,8 +15567,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:186:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -15497,9 +15585,8 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc:1: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15524,6 +15611,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc:7: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -15550,21 +15651,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -15582,8 +15709,9 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc:26: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc:1: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15596,8 +15724,7 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/transition_densities.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15635,6 +15762,19 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -15650,19 +15790,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -15689,22 +15816,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:185:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -15717,9 +15830,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:186:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -15732,47 +15844,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15825,20 +15896,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15875,46 +15932,36 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -16097,36 +16144,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -16163,7 +16182,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -16177,6 +16196,61 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/transition_densities.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -16191,8 +16265,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -16229,7 +16303,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -16347,46 +16421,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -16399,8 +16435,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -16437,7 +16473,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -16510,543 +16546,174 @@ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 71%] Built target votca_xtp make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make 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+make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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"--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make 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xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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"--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd 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-I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -MF CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o.d -o CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc +[ 71%] Building CXX object xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o -MF CMakeFiles/xtp_map.dir/xtp_map.cc.o.d -o CMakeFiles/xtp_map.dir/xtp_map.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/depend +[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o -MF CMakeFiles/xtp_run.dir/xtp_run.cc.o.d -o CMakeFiles/xtp_run.dir/xtp_run.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_run.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/depend +[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/DependInfo.cmake "--color=" +[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -MF CMakeFiles/xtp_tools.dir/xtp_tools.cc.o.d -o CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_tools.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -MF CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o.d -o CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_adiis.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/depend +[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/depend -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -MF CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o.d -o CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -MF CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o.d -o CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make 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-make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -MF CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o.d -o CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix3d.cc +[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -MF CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o.d -o CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -MF CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o.d -o CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o -MF CMakeFiles/unit_test_atom.dir/test_atom.cc.o.d -o CMakeFiles/unit_test_atom.dir/test_atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_atom.cc +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/depend +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -MF CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o.d -o CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -MF CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o.d -o CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmatom.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/DependInfo.cmake "--color=" +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -MF CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o.d -o CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/depend make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -[ 71%] Building CXX object xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o -MF CMakeFiles/xtp_map.dir/xtp_map.cc.o.d -o CMakeFiles/xtp_map.dir/xtp_map.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -MF CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o.d -o CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_adiis.cc -make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -MF CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o.d -o CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o -MF CMakeFiles/xtp_run.dir/xtp_run.cc.o.d -o CMakeFiles/xtp_run.dir/xtp_run.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_run.cc -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -MF CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o.d -o CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -MF CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o.d -o CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc -[ 74%] Building CXX object xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -MF CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o.d -o CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc -make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall 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-I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -MF CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o.d -o CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o -MF CMakeFiles/unit_test_atom.dir/test_atom.cc.o.d -o CMakeFiles/unit_test_atom.dir/test_atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_atom.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -MF CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o.d -o CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmatom.cc -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build [ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -MF CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o.d -o CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bfgs_trm.cc +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -MF CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o.d -o CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_basisset.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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-I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -MF CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o.d -o CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB 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Building CXX object xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 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/build/reproducible-path/votca-2024/xtp/src/tests/test_bseoperator_btda.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o -MF CMakeFiles/unit_test_bse.dir/test_bse.cc.o.d -o CMakeFiles/unit_test_bse.dir/test_bse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bse.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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-I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -MF CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d -o CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -MF CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o.d -o CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_staticsite.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -MF CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o.d -o CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -MF CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d -o CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmstate.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -MF CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d -o CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsite.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -MF CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d -o CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -MF CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d -o CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -MF CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d -o CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_ecpaobasis.cc:17: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -MF CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o.d -o CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, + from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17097,116 +16764,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -17221,59 +16778,25 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17283,34 +16806,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 74%] Linking CXX executable unit_test_glink -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_glink.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_glink.dir/test_glink.cc.o -o unit_test_glink -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/stateapplication.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_run.cc:23: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17320,8 +16820,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 74%] Linking CXX executable xtp_tools -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_tools.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -17350,7 +16848,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -o xtp_tools -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -17364,34 +16861,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Built target unit_test_glink -make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o -MF CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d -o CMakeFiles/unit_test_segment.dir/test_segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, - from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc:34: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -17399,8 +16868,8 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, - from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/stateapplication.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_run.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17466,42 +16935,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -17515,22 +16948,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -17585,44 +17002,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 74%] Linking CXX executable unit_test_qmstate -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmstate.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -17659,6 +17038,8 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 74%] Linking CXX executable xtp_tools +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_tools.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -17675,7 +17056,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -o unit_test_qmstate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -o xtp_tools -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -17704,410 +17085,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 75%] Linking CXX executable unit_test_atom -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_atom.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_atom.dir/test_atom.cc.o -o unit_test_atom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 75%] Built target xtp_tools -make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/depend -[ 76%] Linking CXX executable unit_test_qmatom -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmatom.dir/link.txt --verbose=1 -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -o unit_test_qmatom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -MF CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d -o CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_ppm.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_grid.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_dftcoupling.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 76%] Built target unit_test_qmstate -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/DependInfo.cmake "--color=" -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -MF CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o.d -o CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc -[ 76%] Built target unit_test_atom -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 76%] Built target unit_test_qmatom -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -MF CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d -o CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_symmetric_matrix.cc -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -MF CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d -o CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_basisset.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18125,7 +17102,8 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18135,6 +17113,42 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18176,6 +17190,50 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 74%] Built target xtp_tools +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, + from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc:34: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o -MF CMakeFiles/unit_test_diis.dir/test_diis.cc.o.d -o CMakeFiles/unit_test_diis.dir/test_diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diis.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18217,20 +17275,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -18267,9 +17311,25 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -18305,8 +17365,8 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -18319,51 +17379,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -18378,9 +17409,9 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_cubefile_writer.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18434,33 +17465,9 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc:32: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_regular_grid.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_dftcoupling.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18470,6 +17477,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18485,19 +17506,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18527,7 +17535,7 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc:30: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18552,73 +17560,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix3d.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18648,7 +17589,7 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_eris.cc:27: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_basisset.cc:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18699,44 +17640,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc:32: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -18755,21 +17668,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18796,38 +17694,19 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_potential.cc:27: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix3d.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18837,62 +17716,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 76%] Linking CXX executable unit_test_adiis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_adiis.dir/link.txt --verbose=1 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -o unit_test_adiis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18962,184 +17791,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 76%] Built target unit_test_adiis -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -MF CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d -o CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[ 75%] Linking CXX executable unit_test_qmatom +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmatom.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -o unit_test_qmatom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 76%] Linking CXX executable unit_test_atom +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_atom.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_atom.dir/test_atom.cc.o -o unit_test_atom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 76%] Linking CXX executable unit_test_adiis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_adiis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -o unit_test_adiis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so [ 76%] Linking CXX executable xtp_run cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_run.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_run.dir/xtp_run.cc.o -o xtp_run -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 @@ -19193,24 +17853,53 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -19223,12 +17912,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -19241,7 +17924,7 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_densityintegration.cc:30: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -19251,20 +17934,14 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_qmatom +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19280,6 +17957,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -MF CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o.d -o CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_ecpaobasis.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -19307,27 +17986,15 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 76%] Built target xtp_run -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend +[ 76%] Built target unit_test_atom +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -MF CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o.d -o CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eigen.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19342,6 +18009,26 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_adiis +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eris.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target xtp_run +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/DependInfo.cmake "--color=" +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o -MF CMakeFiles/unit_test_eris.dir/test_eris.cc.o.d -o CMakeFiles/unit_test_eris.dir/test_eris.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eris.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -MF CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o.d -o CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19356,78 +18043,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 77%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -MF CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d -o CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 79%] Linking CXX executable unit_test_diis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diis.dir/test_diis.cc.o -o unit_test_diis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19456,9 +18071,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 80%] Linking CXX executable unit_test_qmpair -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmpair.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -o unit_test_qmpair -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19667,7 +18279,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19720,10 +18331,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 80%] Built target unit_test_diis -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19776,11 +18383,38 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 76%] Linking CXX executable xtp_parallel +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_parallel.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -o xtp_parallel -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +[ 76%] Linking CXX executable unit_test_qmmolecule +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmmolecule.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -o unit_test_qmmolecule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build +[ 76%] Built target xtp_parallel +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o -MF CMakeFiles/unit_test_topology.dir/test_topology.cc.o.d -o CMakeFiles/unit_test_topology.dir/test_topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o -MF CMakeFiles/unit_test_glink.dir/test_glink.cc.o.d -o CMakeFiles/unit_test_glink.dir/test_glink.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_glink.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_qmmolecule +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -MF CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o.d -o CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc +[ 76%] Linking CXX executable unit_test_bfgs_trm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bfgs_trm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -o unit_test_bfgs_trm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 76%] Linking CXX executable unit_test_basisset +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basisset.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -o unit_test_basisset -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19833,6 +18467,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_basisset +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -MF CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o.d -o CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_cubefile_writer.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_bfgs_trm +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19886,46 +18535,194 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -MF CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o.d -o CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_densityintegration.cc +[ 76%] Linking CXX executable unit_test_aotransform +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aotransform.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -o unit_test_aotransform -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_ecpaobasis.cc:17: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_aotransform +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -MF CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o.d -o CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_potential.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 77%] Linking CXX executable unit_test_diis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diis.dir/test_diis.cc.o -o unit_test_diis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 77%] Linking CXX executable unit_test_polarsegment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsegment.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -o unit_test_polarsegment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Built target unit_test_diis +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -MF CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o.d -o CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_grid.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Built target unit_test_polarsegment +make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -MF CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o.d -o CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_regular_grid.cc +[ 77%] Linking CXX executable unit_test_aobasis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aobasis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -o unit_test_aobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Built target unit_test_aobasis +make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -MF CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o.d -o CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc +[ 79%] Linking CXX executable unit_test_bseoperator_btda +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bseoperator_btda.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o -o unit_test_bseoperator_btda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 79%] Linking CXX executable unit_test_glink +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_glink.dir/link.txt --verbose=1 +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -19938,6 +18735,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_glink.dir/test_glink.cc.o -o unit_test_glink -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19990,53 +18788,27 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 80%] Built target unit_test_qmpair -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_glink +make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/DependInfo.cmake "--color=" +[ 79%] Linking CXX executable unit_test_aomatrix3d +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix3d.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -o unit_test_aomatrix3d -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -MF CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d -o CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsite.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_bseoperator_btda +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20049,48 +18821,100 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -MF CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o.d -o CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -MF CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o.d -o CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_staticsite.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_eris.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_aomatrix3d +make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -MF CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o.d -o CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_ppm.cc +[ 79%] Linking CXX executable unit_test_dftcoupling +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftcoupling.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o -o unit_test_dftcoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_dftcoupling +make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20103,10 +18927,51 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 80%] Linking CXX executable unit_test_qmmolecule -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmmolecule.dir/link.txt --verbose=1 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -MF CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d -o CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -20141,10 +19006,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -o unit_test_qmmolecule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -20158,9 +19022,122 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 79%] Linking CXX executable unit_test_aopotential +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aopotential.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -o unit_test_aopotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_cubefile_writer.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_potential.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_densityintegration.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -20170,6 +19147,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -20222,9 +19240,88 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_aopotential +make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build +[ 79%] Linking CXX executable xtp_map +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_map.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_map.dir/xtp_map.cc.o -o xtp_map -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -MF CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d -o CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target xtp_map +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -MF CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d -o CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmstate.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -20260,8 +19357,8 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20274,6 +19371,25 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 79%] Linking CXX executable unit_test_aomatrix +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix.dir/link.txt --verbose=1 +[ 79%] Linking CXX executable unit_test_bse +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -o unit_test_aomatrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse.dir/test_bse.cc.o -o unit_test_bse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_grid.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20315,16 +19431,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 80%] Built target unit_test_qmmolecule -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -MF CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o.d -o CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -20377,11 +19483,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 80%] Linking CXX executable xtp_parallel -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_parallel.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -o xtp_parallel -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -20418,7 +19521,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -20484,46 +19587,28 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_bse +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_aomatrix +make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -MF CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d -o CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20536,60 +19621,127 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_regular_grid.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 79%] Linking CXX executable unit_test_ecpaobasis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ecpaobasis.dir/link.txt --verbose=1 +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -o unit_test_ecpaobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_ecpaobasis +make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20603,61 +19755,12 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 80%] Built target xtp_parallel -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -MF CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o.d -o CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc -[ 81%] Linking CXX executable unit_test_polarsite -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsite.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -o unit_test_polarsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 81%] Linking CXX executable unit_test_basisset -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basisset.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -o unit_test_basisset -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -MF CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d -o CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20722,68 +19825,19 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 81%] Linking CXX executable unit_test_staticsite -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_staticsite.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -o unit_test_staticsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 81%] Linking CXX executable unit_test_qmnblist -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmnblist.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -o unit_test_qmnblist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_basisset -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o -MF CMakeFiles/unit_test_gw.dir/test_gw.cc.o.d -o CMakeFiles/unit_test_gw.dir/test_gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc -[ 81%] Built target unit_test_polarsite -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -MF CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o.d -o CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc -[ 81%] Linking CXX executable unit_test_aotransform -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aotransform.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -o unit_test_aotransform -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_staticsite -make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_qmnblist -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/DependInfo.cmake "--color=" -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -MF CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o.d -o CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_davidson.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -MF CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o.d -o CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_trustregion.cc -[ 81%] Linking CXX executable unit_test_bfgs_trm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bfgs_trm.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -o unit_test_bfgs_trm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_aotransform -make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -MF CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d -o CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -20820,6 +19874,15 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_ppm.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -20827,6 +19890,11 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -20836,29 +19904,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 83%] Built target unit_test_bfgs_trm -make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -MF CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d -o CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vc2index.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc:29: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20900,19 +19945,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20954,11 +19986,34 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 79%] Linking CXX executable unit_test_convergenceacc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_convergenceacc.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -o unit_test_convergenceacc -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_convergenceacc +make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statetracker.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc:33: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -20968,6 +20023,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o -MF CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d -o CMakeFiles/unit_test_segment.dir/test_segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21023,11 +20083,232 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 79%] Linking CXX executable unit_test_espfit +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_espfit.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -o unit_test_espfit -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_espfit +make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -MF CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d -o CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc +[ 79%] Linking CXX executable unit_test_staticsite +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_staticsite.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -o unit_test_staticsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +[ 79%] Linking CXX executable unit_test_eris +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eris.dir/link.txt --verbose=1 +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eris.dir/test_eris.cc.o -o unit_test_eris -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 79%] Linking CXX executable unit_test_qmstate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmstate.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -o unit_test_qmstate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_staticsite +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/depend +[ 79%] Built target unit_test_qmstate +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -MF CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o.d -o CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -MF CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d -o CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_eris +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -MF CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d -o CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_symmetric_matrix.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21078,6 +20359,48 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 79%] Linking CXX executable unit_test_cubefile_writer +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_cubefile_writer.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -o unit_test_cubefile_writer -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 80%] Linking CXX executable unit_test_polarsite +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsite.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -o unit_test_polarsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 81%] Linking CXX executable unit_test_densityintegration +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_densityintegration.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -o unit_test_densityintegration -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 81%] Built target unit_test_polarsite +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -MF CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d -o CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc +[ 81%] Built target unit_test_cubefile_writer +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -MF CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d -o CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Built target unit_test_densityintegration +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o -MF CMakeFiles/unit_test_topology.dir/test_topology.cc.o.d -o CMakeFiles/unit_test_topology.dir/test_topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc +[ 83%] Linking CXX executable unit_test_vxc_potential +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_potential.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -o unit_test_vxc_potential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21094,10 +20417,8 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21148,31 +20469,13 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 84%] Linking CXX executable unit_test_vxc_grid -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_grid.dir/link.txt --verbose=1 -[ 84%] Linking CXX executable unit_test_polarsegment -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsegment.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -o unit_test_vxc_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -o unit_test_polarsegment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[ 83%] Linking CXX executable unit_test_qmnblist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmnblist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -o unit_test_qmnblist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21182,20 +20485,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21237,23 +20526,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 84%] Linking CXX executable unit_test_symmetric_matrix -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_symmetric_matrix.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -o unit_test_symmetric_matrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Built target unit_test_vxc_potential +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build +[ 83%] Linking CXX executable unit_test_vxc_grid +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_grid.dir/link.txt --verbose=1 +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -o unit_test_vxc_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -MF CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o.d -o CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc +[ 84%] Linking CXX executable unit_test_qmpair +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmpair.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -o unit_test_qmpair -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21268,39 +20556,50 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 84%] Linking CXX executable unit_test_ecpaobasis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ecpaobasis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -o unit_test_ecpaobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 84%] Built target unit_test_vxc_grid -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/depend +[ 84%] Built target unit_test_qmnblist +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/DependInfo.cmake "--color=" -[ 84%] Built target unit_test_polarsegment -make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/DependInfo.cmake "--color=" +[ 84%] Built target unit_test_vxc_grid +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 84%] Built target unit_test_symmetric_matrix make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/DependInfo.cmake "--color=" +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -MF CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o.d -o CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -MF CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o.d -o CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_qmpair +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o -MF CMakeFiles/unit_test_grid.dir/test_grid.cc.o.d -o CMakeFiles/unit_test_grid.dir/test_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc -[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -MF CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o.d -o CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segmentmapper.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o -MF CMakeFiles/unit_test_gw.dir/test_gw.cc.o.d -o CMakeFiles/unit_test_gw.dir/test_gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -21335,15 +20634,18 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -MF CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o.d -o CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -21353,49 +20655,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -21405,16 +20664,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Built target unit_test_ecpaobasis -make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o -MF CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d -o CMakeFiles/unit_test_hist.dir/test_hist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21467,6 +20716,47 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21519,46 +20809,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -21571,8 +20823,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -21609,7 +20861,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -21623,16 +20875,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 85%] Linking CXX executable unit_test_eris -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eris.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eris.dir/test_eris.cc.o -o unit_test_eris -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 85%] Linking CXX executable unit_test_cubefile_writer -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_cubefile_writer.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -o unit_test_cubefile_writer -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc:33: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21683,10 +20929,62 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc:33: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21711,6 +21009,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 84%] Linking CXX executable unit_test_regular_grid +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_regular_grid.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -21737,33 +21037,62 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -o unit_test_regular_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 84%] Linking CXX executable unit_test_orbitals +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbitals.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -o unit_test_orbitals -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 84%] Linking CXX executable unit_test_hdf5 +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hdf5.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -o unit_test_hdf5 -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Built target unit_test_eris -make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend +[ 84%] Built target unit_test_orbitals +make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -MF CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o.d -o CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -MF CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o.d -o CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Built target unit_test_cubefile_writer -make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_hdf5 +make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/DependInfo.cmake "--color=" +[ 84%] Built target unit_test_regular_grid +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -MF CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o.d -o CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc -[ 87%] Linking CXX executable unit_test_bseoperator_btda -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bseoperator_btda.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o -o unit_test_bseoperator_btda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -MF CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o.d -o CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_davidson.cc +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -MF CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o.d -o CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_trustregion.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc:33: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statetracker.h:29, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc:33: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21773,23 +21102,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 88%] Linking CXX executable unit_test_rpa -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -o unit_test_rpa -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21831,14 +21143,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc:32: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21862,10 +21172,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 88%] Built target unit_test_bseoperator_btda -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21907,11 +21213,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -MF CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d -o CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21926,20 +21227,75 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 84%] Linking CXX executable unit_test_symmetric_matrix +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_symmetric_matrix.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -o unit_test_symmetric_matrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21981,21 +21337,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 88%] Linking CXX executable unit_test_radial_euler_maclaurin_rule -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -o unit_test_radial_euler_maclaurin_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 88%] Linking CXX executable unit_test_segment -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segment.dir/link.txt --verbose=1 -[ 88%] Linking CXX executable unit_test_espfit -[ 88%] Linking CXX executable unit_test_vxc_potential -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_potential.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_espfit.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segment.dir/test_segment.cc.o -o unit_test_segment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -o unit_test_vxc_potential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -o unit_test_espfit -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 88%] Built target unit_test_rpa -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22048,20 +21389,25 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 88%] Linking CXX executable unit_test_aobasis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aobasis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -o unit_test_aobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -MF CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d -o CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22071,8 +21417,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 88%] Linking CXX executable unit_test_vc2index -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vc2index.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22088,7 +21432,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -o unit_test_vc2index -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -22115,19 +21458,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_symmetric_matrix +make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -MF CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d -o CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22142,15 +21482,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Built target unit_test_segment -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22165,62 +21496,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o -[ 88%] Built target unit_test_vc2index -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK 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CMakeFiles/unit_test_orca.dir/test_orca.cc.o.d -o CMakeFiles/unit_test_orca.dir/test_orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Linking CXX executable unit_test_trustregion -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_trustregion.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -MF CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o.d -o CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -o unit_test_trustregion -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 88%] Built target unit_test_radial_euler_maclaurin_rule -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" -[ 88%] Built target unit_test_espfit -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Built target unit_test_vxc_potential -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -MF CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d -o CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -MF CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d -o CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -MF CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o.d -o CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc -[ 88%] Linking CXX executable unit_test_aomatrix3d -[ 88%] Linking CXX executable unit_test_orbitals -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbitals.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix3d.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -o unit_test_orbitals -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -o unit_test_aomatrix3d -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); | ^ -[ 88%] Linking CXX executable unit_test_regular_grid In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); @@ -22231,7 +21524,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_regular_grid.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -22258,10 +21550,219 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 88%] Linking CXX executable unit_test_rpa_h2p -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -o unit_test_regular_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa_h2p.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -o unit_test_rpa_h2p -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 85%] Linking CXX executable unit_test_eigen +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eigen.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -o unit_test_eigen -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22314,14 +21815,64 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 85%] Linking CXX executable unit_test_segment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segment.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segment.dir/test_segment.cc.o -o unit_test_segment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 87%] Linking CXX executable unit_test_rpa +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -o unit_test_rpa -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 87%] Built target unit_test_eigen +make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -MF CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d -o CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vc2index.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 88%] Built target unit_test_segment +make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Built target unit_test_aobasis +make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o -MF CMakeFiles/unit_test_grid.dir/test_grid.cc.o.d -o CMakeFiles/unit_test_grid.dir/test_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc:33: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22331,14 +21882,71 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_rpa +make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -MF CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o.d -o CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -MF CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o.d -o CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segmentmapper.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22380,16 +21988,49 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 89%] Linking CXX executable unit_test_densityintegration -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_densityintegration.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -o unit_test_densityintegration -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Built target unit_test_trustregion -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +[ 89%] Linking CXX executable unit_test_radial_euler_maclaurin_rule +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -o unit_test_radial_euler_maclaurin_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -22402,11 +22043,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -MF CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o.d -o CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22459,68 +22095,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_aomatrix3d -make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/DependInfo.cmake "--color=" -[ 89%] Built target unit_test_orbitals -make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -MF CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d -o CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -MF CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o.d -o CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc -[ 89%] Linking CXX executable unit_test_aomatrix -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -o unit_test_aomatrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Built target unit_test_regular_grid -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_dftcoupling -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftcoupling.dir/link.txt --verbose=1 -[ 89%] Built target unit_test_rpa_h2p -make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o -o unit_test_dftcoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -MF CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o.d -o CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_newton_rapson.cc -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -MF CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o.d -o CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_indexparser.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22549,6 +22123,35 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 89%] Linking CXX executable unit_test_topology +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_topology.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_topology.dir/test_topology.cc.o -o unit_test_topology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_radial_euler_maclaurin_rule +make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -MF CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o.d -o CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_topology +make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o -MF CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d -o CMakeFiles/unit_test_hist.dir/test_hist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc +[ 89%] Linking CXX executable unit_test_trustregion +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_trustregion.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -o unit_test_trustregion -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Linking CXX executable unit_test_rpa_h2p +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa_h2p.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -o unit_test_rpa_h2p -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22585,7 +22188,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -22602,18 +22204,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Built target unit_test_densityintegration -make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -MF CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d -o CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc -[ 89%] Linking CXX executable unit_test_topology -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_topology.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_topology.dir/test_topology.cc.o -o unit_test_topology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc:32: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22655,21 +22261,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_aomatrix -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o -MF CMakeFiles/unit_test_molden.dir/test_molden.cc.o.d -o CMakeFiles/unit_test_molden.dir/test_molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:101:4: required from 'void votca::xtp::hist::WriteMetric(const T&, std::string, votca::xtp::CheckpointWriter&) const [with T = double; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:68:7: required from 'void votca::xtp::hist::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = double]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:50:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -22682,22 +22275,28 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmfragment.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_trustregion +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -MF CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o.d -o CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_rpa_h2p +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -MF CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o.d -o CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -22729,14 +22328,12 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here 42 | class CptTable { | ^~~~~~~~ -[ 89%] Linking CXX executable xtp_map /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_map.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -22750,7 +22347,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_map.dir/xtp_map.cc.o -o xtp_map -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22803,29 +22399,88 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 89%] Linking CXX executable unit_test_sphere_lebedev_rule +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sphere_lebedev_rule.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -o unit_test_sphere_lebedev_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_dftcoupling -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -MF CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d -o CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_topology -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/depend +[ 89%] Built target unit_test_sphere_lebedev_rule +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -MF CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d -o CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_incrementalfockbuilder.cc -[ 89%] Linking CXX executable unit_test_hdf5 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hdf5.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -o unit_test_hdf5 -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -MF CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d -o CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22881,7 +22536,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Linking CXX executable unit_test_threecenter_dft +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_dft.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -o unit_test_threecenter_dft -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22896,9 +22553,49 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +[ 89%] Linking CXX executable unit_test_threecenter_gwbse +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_gwbse.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -o unit_test_threecenter_gwbse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -22911,25 +22608,71 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Built target xtp_map -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/depend +[ 89%] Linking CXX executable unit_test_vc2index +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vc2index.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -o unit_test_vc2index -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Built target unit_test_threecenter_dft +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -MF CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d -o CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc +[ 90%] Linking CXX executable unit_test_statetracker +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_statetracker.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -o unit_test_statetracker -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 90%] Built target unit_test_vc2index +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build -[ 89%] Built target unit_test_hdf5 +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/depend +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o -MF CMakeFiles/unit_test_orca.dir/test_orca.cc.o.d -o CMakeFiles/unit_test_orca.dir/test_orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_threecenter_gwbse +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/DependInfo.cmake "--color=" -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -MF CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d -o CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_parallelism.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -MF CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d -o CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_anderson.cc +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -MF CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o.d -o CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_statetracker +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -MF CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d -o CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc +[ 90%] Linking CXX executable unit_test_aoshell +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aoshell.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -o unit_test_aoshell -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -22945,6 +22688,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22997,18 +22781,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 90%] Linking CXX executable unit_test_threecenter_dft -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_dft.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -o unit_test_threecenter_dft -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 90%] Linking CXX executable unit_test_aopotential -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aopotential.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -o unit_test_aopotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 90%] Linking CXX executable unit_test_sphere_lebedev_rule -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sphere_lebedev_rule.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -o unit_test_sphere_lebedev_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 90%] Linking CXX executable unit_test_threecenter_gwbse -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_gwbse.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -o unit_test_threecenter_gwbse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23050,13 +22822,15 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_aoshell +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23067,23 +22841,15 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Linking CXX executable unit_test_bse -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse.dir/link.txt --verbose=1 -[ 90%] Built target unit_test_threecenter_dft -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse.dir/test_bse.cc.o -o unit_test_bse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -MF CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d -o CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussian_quadratures.cc +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -MF CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d -o CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmfragment.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23093,16 +22859,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Built target unit_test_aopotential -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -MF CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d -o CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23144,15 +22900,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Built target unit_test_threecenter_gwbse -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23168,8 +22929,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -MF CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d -o CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedensitymatrix.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -23196,20 +22955,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 92%] Built target unit_test_sphere_lebedev_rule -make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -MF CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d -o CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 92%] Built target unit_test_bse -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23224,14 +22969,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -MF CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d -o CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc -[ 93%] Linking CXX executable unit_test_statetracker -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_statetracker.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -o unit_test_statetracker -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23246,6 +22983,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23260,63 +23012,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Linking CXX executable unit_test_aoshell -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aoshell.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -o unit_test_aoshell -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 93%] Linking CXX executable unit_test_qmfragment -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmfragment.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -o unit_test_qmfragment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 93%] Linking CXX executable unit_test_grid +[ 90%] Linking CXX executable unit_test_sigma_ppm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_ppm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -o unit_test_sigma_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 90%] Linking CXX executable unit_test_gw +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gw.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow 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/usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 90%] Linking CXX executable unit_test_gnode +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gnode.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -o unit_test_gnode -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 90%] Linking CXX executable unit_test_grid cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_grid.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_grid.dir/test_grid.cc.o -o unit_test_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Built target unit_test_statetracker -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:101:4: required from 'void votca::xtp::hist::WriteMetric(const T&, std::string, votca::xtp::CheckpointWriter&) const [with T = double; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:68:7: required from 'void votca::xtp::hist::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = double]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:50:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -23329,30 +23041,63 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -MF CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d -o CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc -[ 93%] Linking CXX executable unit_test_convergenceacc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_convergenceacc.dir/link.txt --verbose=1 -[ 93%] Linking CXX executable unit_test_gnode -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gnode.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -o unit_test_convergenceacc -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -o unit_test_gnode -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_gw +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -MF CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o.d -o CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc +[ 90%] Linking CXX executable unit_test_sigma_exact +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_exact.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -o unit_test_sigma_exact -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_gnode +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /usr/include/hdf5/serial/H5Cpp.h:46, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -MF CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o.d -o CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc +[ 90%] Built target unit_test_grid +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -MF CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o.d -o CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc +[ 90%] Built target unit_test_sigma_ppm +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -MF CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d -o CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23395,41 +23140,31 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Linking CXX executable unit_test_hist -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hist.dir/link.txt --verbose=1 -[ 93%] Built target unit_test_aoshell -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/DependInfo.cmake "--color=" -[ 93%] Built target unit_test_qmfragment -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hist.dir/test_hist.cc.o -o unit_test_hist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -MF CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d -o CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_transition_densities.cc -[ 93%] Building xtp_parallel manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_parallel --format groff --out xtp_parallel.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Built target unit_test_gnode -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 90%] Built target unit_test_sigma_exact +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Built target xtp_parallel_manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -MF CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o.d -o CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23444,18 +23179,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 94%] Building xtp_map manpage -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_map --format groff --out xtp_map.man -[ 94%] Building xtp_run manpage -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_run --format groff --out xtp_run.man -[ 94%] Built target unit_test_grid -make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -23492,11 +23215,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Building xtp_tools manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_tools --format groff --out xtp_tools.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -23513,27 +23231,52 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target xtp_run_manpage -[ 94%] Built target xtp_tools_manpage -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target xtp_map_manpage -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target manpages -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_convergenceacc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_hist -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 90%] Linking CXX executable unit_test_qmfragment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmfragment.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -o unit_test_qmfragment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -23570,7 +23313,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -23584,68 +23327,18 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 94%] Linking CXX executable unit_test_newton_rapson -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_newton_rapson.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -o unit_test_newton_rapson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 94%] Linking CXX executable unit_test_indexparser -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_indexparser.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -o unit_test_indexparser -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_newton_rapson -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc:32: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 90%] Built target unit_test_qmfragment +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -MF CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o.d -o CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_newton_rapson.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -23658,62 +23351,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc:30: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_indexparser /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -23750,21 +23387,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bsecoupling.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +[ 92%] Linking CXX executable unit_test_sigma_cda +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_cda.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -o unit_test_sigma_cda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -23777,31 +23402,40 @@ | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc:30: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 92%] Linking CXX executable unit_test_ppm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ppm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -o unit_test_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_sigma_cda +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -MF CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o.d -o CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_indexparser.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_ppm +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -MF CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d -o CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23826,21 +23460,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -23861,35 +23480,23 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc:32: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 296 | parent = loc.openGroup(name); | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -23937,24 +23544,7 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23964,12 +23554,42 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 92%] Linking CXX executable unit_test_hist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hist.dir/test_hist.cc.o -o unit_test_hist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24020,6 +23640,21 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24061,44 +23696,215 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_hist +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o -MF CMakeFiles/unit_test_molden.dir/test_molden.cc.o.d -o CMakeFiles/unit_test_molden.dir/test_molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 92%] Linking CXX executable unit_test_bse_operator +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse_operator.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -o unit_test_bse_operator -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bsecoupling.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -24145,9 +23951,10 @@ | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24157,20 +23964,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24212,55 +24005,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 94%] Linking CXX executable unit_test_sigma_exact -[ 94%] Linking CXX executable unit_test_sigma_ppm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_exact.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_ppm.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -o unit_test_sigma_exact -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -o unit_test_sigma_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_bse_operator +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -MF CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d -o CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24275,6 +24029,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 92%] Linking CXX executable unit_test_jobtopology +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_jobtopology.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -o unit_test_jobtopology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24289,27 +24046,78 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 96%] Linking CXX executable unit_test_parallelism -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_parallelism.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -o unit_test_parallelism -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 92%] Built target unit_test_jobtopology +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/depend +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -MF CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d -o CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_incrementalfockbuilder.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24360,9 +24168,59 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 92%] Linking CXX executable unit_test_indexparser +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_indexparser.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -o unit_test_indexparser -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +[ 92%] Built target unit_test_indexparser +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -MF CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d -o CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_parallelism.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -24375,11 +24233,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 96%] Built target unit_test_parallelism -[ 96%] Built target unit_test_sigma_exact -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -24392,8 +24285,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 96%] Built target unit_test_sigma_ppm +[ 92%] Linking CXX executable unit_test_newton_rapson +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_newton_rapson.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -o unit_test_newton_rapson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24408,6 +24302,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_newton_rapson +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24425,8 +24324,9 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24436,6 +24336,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -MF CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d -o CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_anderson.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24480,8 +24385,9 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24491,8 +24397,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 97%] Linking CXX executable unit_test_sigma_cda -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_cda.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24508,7 +24412,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -o unit_test_sigma_cda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -24535,8 +24438,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +[ 94%] Linking CXX executable unit_test_rate_engine +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rate_engine.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -o unit_test_rate_engine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -24573,7 +24479,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -24601,20 +24507,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24667,6 +24559,30 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Built target unit_test_rate_engine +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -MF CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d -o CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussian_quadratures.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24703,6 +24619,7 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 94%] Linking CXX executable unit_test_segmentmapper /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -24719,12 +24636,18 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 97%] Linking CXX executable unit_test_incrementalfockbuilder -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_incrementalfockbuilder.dir/link.txt --verbose=1 -[ 97%] Linking CXX executable unit_test_gw -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gw.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -o unit_test_incrementalfockbuilder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gw.dir/test_gw.cc.o -o unit_test_gw -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segmentmapper.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -o unit_test_segmentmapper -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Built target unit_test_segmentmapper +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -MF CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d -o CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24777,44 +24700,62 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -24865,10 +24806,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -24881,7 +24820,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24934,12 +24872,77 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 97%] Built target unit_test_sigma_cda +[ 94%] Linking CXX executable unit_test_dipoledipoleinteraction +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dipoledipoleinteraction.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -o unit_test_dipoledipoleinteraction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 97%] Built target unit_test_incrementalfockbuilder -[ 97%] Linking CXX executable unit_test_jobtopology -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_jobtopology.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -o unit_test_jobtopology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 94%] Built target unit_test_dipoledipoleinteraction +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 96%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -MF CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d -o CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedensitymatrix.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 96%] Linking CXX executable unit_test_incrementalfockbuilder +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_incrementalfockbuilder.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -o unit_test_incrementalfockbuilder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24992,11 +24995,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 96%] Linking CXX executable unit_test_populationanalysis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_populationanalysis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -o unit_test_populationanalysis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc:26: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25006,6 +25013,15 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 96%] Built target unit_test_incrementalfockbuilder +make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 96%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -MF CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d -o CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25047,46 +25063,25 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 96%] Linking CXX executable unit_test_localisation_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_localisation_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -o unit_test_localisation_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -25099,13 +25094,59 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_bse_operator -[ 98%] Linking CXX executable unit_test_rate_engine -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse_operator.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rate_engine.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -o unit_test_rate_engine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -o unit_test_bse_operator -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 96%] Built target unit_test_populationanalysis +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 96%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o +[ 96%] Built target unit_test_localisation_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -MF CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d -o CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 96%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -MF CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d -o CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc +[ 96%] Linking CXX executable unit_test_oscillatorstrength_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_oscillatorstrength_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -o unit_test_oscillatorstrength_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 97%] Linking CXX executable unit_test_parallelism +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_parallelism.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -o unit_test_parallelism -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target unit_test_parallelism +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -MF CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d -o CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_transition_densities.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target unit_test_oscillatorstrength_filter +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Building xtp_parallel manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_parallel --format groff --out xtp_parallel.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target xtp_parallel_manpage +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25142,6 +25183,7 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -25158,6 +25200,45 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 98%] Building xtp_map manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_map --format groff --out xtp_map.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target xtp_map_manpage +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Linking CXX executable unit_test_anderson +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_anderson.dir/link.txt --verbose=1 +[ 98%] Building xtp_run manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_run --format groff --out xtp_run.man +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -o unit_test_anderson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target xtp_run_manpage +make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Building xtp_tools manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_tools --format groff --out xtp_tools.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target xtp_tools_manpage +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target manpages +[ 98%] Linking CXX executable unit_test_eeinteractor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eeinteractor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -o unit_test_eeinteractor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25210,31 +25291,17 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Built target unit_test_gw make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_jobtopology -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_anderson -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_anderson.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -o unit_test_anderson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Built target unit_test_anderson +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_eeinteractor +[ 98%] Linking CXX executable unit_test_density_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_density_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -o unit_test_density_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_activedensitymatrix.cc:29: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25285,11 +25352,45 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 98%] Linking CXX executable unit_test_DeltaQ_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_DeltaQ_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -o unit_test_DeltaQ_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Linking CXX executable unit_test_overlap_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_overlap_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -o unit_test_overlap_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Linking CXX executable unit_test_gaussian_quadratures +[ 98%] Built target unit_test_density_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussian_quadratures.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -o unit_test_gaussian_quadratures -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_DeltaQ_filter +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_gaussian_quadratures +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_overlap_filter +[100%] Linking CXX executable unit_test_orbreorder +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbreorder.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -o unit_test_orbreorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_activedensitymatrix.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25337,29 +25438,90 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 296 | parent = loc.openGroup(name); | ^ +[100%] Linking CXX executable unit_test_bsecoupling /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 98%] Built target unit_test_rate_engine -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bsecoupling.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -o unit_test_bsecoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_orbreorder +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[100%] Linking CXX executable unit_test_orca +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orca.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orca.dir/test_orca.cc.o -o unit_test_orca -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_bsecoupling In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/transition_densities.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_transition_densities.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25410,6 +25572,56 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[100%] Linking CXX executable unit_test_gaussianwriter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussianwriter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -o unit_test_gaussianwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_orca +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_gaussianwriter +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25462,21 +25674,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -25494,6 +25691,15 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); | ^ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/transition_densities.h:29, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_transition_densities.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -25503,25 +25709,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc:26: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25531,8 +25728,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_bse_operator In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25574,25 +25769,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_anderson -[ 98%] Linking CXX executable unit_test_eigen -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eigen.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -o unit_test_eigen -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25635,14 +25852,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_eigen -[ 98%] Linking CXX executable unit_test_ppm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ppm.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -o unit_test_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 98%] Linking CXX executable unit_test_gaussian_quadratures -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussian_quadratures.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -o unit_test_gaussian_quadratures -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Linking CXX executable unit_test_molden +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_molden.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_molden.dir/test_molden.cc.o -o unit_test_molden -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here @@ -25658,117 +25870,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[100%] Linking CXX executable unit_test_dftengine +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftengine.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -o unit_test_dftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_gaussian_quadratures +[100%] Built target unit_test_molden make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_ppm -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_dipoledipoleinteraction -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dipoledipoleinteraction.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -o unit_test_dipoledipoleinteraction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Built target unit_test_dftengine /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25821,8 +25929,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_dipoledipoleinteraction /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25927,9 +26033,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_density_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_density_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -o unit_test_density_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25982,108 +26085,41 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_density_filter -[ 98%] Linking CXX executable unit_test_oscillatorstrength_filter -[ 98%] Linking CXX executable unit_test_overlap_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_overlap_filter.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_oscillatorstrength_filter.dir/link.txt --verbose=1 -[ 98%] Linking CXX executable unit_test_localisation_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_localisation_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -o unit_test_oscillatorstrength_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -o unit_test_overlap_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -o unit_test_localisation_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 98%] Linking CXX executable unit_test_gaussianwriter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussianwriter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -o unit_test_gaussianwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 98%] Linking CXX executable unit_test_molden -[100%] Linking CXX executable unit_test_orbreorder -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_molden.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbreorder.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_molden.dir/test_molden.cc.o -o unit_test_molden -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -o unit_test_orbreorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Built target unit_test_localisation_filter -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_gaussianwriter -[100%] Built target unit_test_overlap_filter -[100%] Built target unit_test_oscillatorstrength_filter -[100%] Linking CXX executable unit_test_DeltaQ_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_DeltaQ_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -o unit_test_DeltaQ_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_molden -[100%] Built target unit_test_orbreorder -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Linking CXX executable unit_test_populationanalysis -[100%] Built target unit_test_DeltaQ_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_populationanalysis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -o unit_test_populationanalysis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_segmentmapper -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segmentmapper.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -o unit_test_segmentmapper -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_populationanalysis -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_segmentmapper -[100%] Linking CXX executable unit_test_eeinteractor -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eeinteractor.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -o unit_test_eeinteractor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Linking CXX executable unit_test_pmlocalization +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_pmlocalization.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -o unit_test_pmlocalization -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so [100%] Linking CXX executable unit_test_activedensitymatrix cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_activedensitymatrix.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -o unit_test_activedensitymatrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_eeinteractor -[100%] Linking CXX executable unit_test_orca -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orca.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orca.dir/test_orca.cc.o -o unit_test_orca -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Built target unit_test_pmlocalization make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_activedensitymatrix -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_orca [100%] Linking CXX executable unit_test_transition_densities cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_transition_densities.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -o unit_test_transition_densities -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_bsecoupling -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bsecoupling.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -o unit_test_bsecoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_transition_densities -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_bsecoupling [100%] Linking CXX executable unit_test_diabatization cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diabatization.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -o unit_test_diabatization -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_pmlocalization -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_pmlocalization.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -o unit_test_pmlocalization -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_diabatization -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_pmlocalization [100%] Linking CXX executable unit_test_activedftengine cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_activedftengine.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -o unit_test_activedftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_dftengine -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftengine.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -o unit_test_dftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_activedftengine +[100%] Linking CXX executable unit_test_davidson +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_davidson.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -o unit_test_davidson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_dftengine +[100%] Built target unit_test_davidson [100%] Linking CXX executable unit_test_truncdftengine cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_truncdftengine.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -o unit_test_truncdftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_truncdftengine -[100%] Linking CXX executable unit_test_davidson -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_davidson.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -o unit_test_davidson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_davidson make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' @@ -26402,225 +26438,225 @@ make -f csg/scripts/CMakeFiles/csg-scripts-rst.dir/build.make csg/scripts/CMakeFiles/csg-scripts-rst.dir/build make[5]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 33%] Building csg_call rst doc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_call.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_call.rst [ 33%] Building csg_inverse rst doc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_inverse.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_inverse.rst [ 33%] Building tag_file.sh rst doc (from tag file) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tag\ file --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tag_file.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tag\ file --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tag_file.sh.rst [ 33%] Building dummy.sh rst doc (from dummy dummy) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dummy\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dummy.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dummy\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dummy.sh.rst [ 33%] Building functions_common.sh rst doc (from functions common) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ common --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_common.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ common --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_common.sh.rst [ 33%] Building inverse.sh rst doc (from csg master) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ csg\ master --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/inverse.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ csg\ master --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/inverse.sh.rst [ 33%] Building check_csg_xml.py rst doc (from check csg_xml) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ check\ csg_xml --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/check_csg_xml.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ check\ csg_xml --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/check_csg_xml.py.rst [ 33%] Building prepare_generic.sh rst doc (from prepare ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic.sh.rst [ 33%] Building prepare_iie.sh rst doc (from prepare iie) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_iie.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_iie.sh.rst [ 33%] Building prepare_imc.sh rst doc (from prepare imc) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_imc.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_imc.sh.rst [ 33%] Building prepare_optimizer.sh rst doc (from prepare optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer.sh.rst [ 35%] Building prepare_re.sh rst doc (from prepare re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_re.sh.rst [ 35%] Building prepare_generic_single.sh rst doc (from prepare_single ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic_single.sh.rst [ 35%] Building prepare_optimizer_single.sh rst doc (from prepare_single optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer_single.sh.rst [ 35%] Building initialize_step_generic.sh rst doc (from initstep ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_generic.sh.rst [ 35%] Building initialize_step_optimizer.sh rst doc (from initstep optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_optimizer.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_optimizer.sh.rst [ 35%] Building initialize_step_re.sh rst doc (from initstep re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_re.sh.rst [ 35%] Building add_pot_generic.sh rst doc (from add_pot ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ add_pot\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_pot_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ add_pot\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_pot_generic.sh.rst [ 37%] Building pre_update_re.sh rst doc (from pre_update re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pre_update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pre_update_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pre_update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pre_update_re.sh.rst [ 37%] Building post_update_generic.sh rst doc (from post_update ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic.sh.rst [ 37%] Building post_update_generic_single.sh rst doc (from post_update_single ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic_single.sh.rst [ 37%] Building post_update_re_single.sh rst doc (from post_update_single re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_re_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_re_single.sh.rst [ 37%] Building postupd_scale.sh rst doc (from postupd scale) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_scale.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_scale.sh.rst [ 37%] Building postupd_pressure.sh rst doc (from postupd pressure) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_pressure.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_pressure.sh.rst [ 37%] Building postupd_addlj.sh rst doc (from postupd lj) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ lj --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_addlj.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ lj --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_addlj.sh.rst [ 37%] Building postupd_splinesmooth.sh rst doc (from postupd splinesmooth) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ splinesmooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_splinesmooth.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ splinesmooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_splinesmooth.sh.rst [ 37%] Building postupd_smooth.sh rst doc (from postupd smooth) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_smooth.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_smooth.sh.rst [ 37%] Building postadd_shift.sh rst doc (from postupd shift) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_shift.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_shift.sh.rst [ 37%] Building postadd_dummy.sh rst doc (from postupd dummy) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_dummy.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_dummy.sh.rst [ 37%] Building postupd_extrapolate.sh rst doc (from postupd extrapolate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_extrapolate.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_extrapolate.sh.rst [ 37%] Building postupd_kbibi_correction.sh rst doc (from postupd kbibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ kbibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_kbibi_correction.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ kbibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_kbibi_correction.sh.rst [ 38%] Building postupd_cibi_correction.sh rst doc (from postupd cibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ cibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_cibi_correction.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ cibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_cibi_correction.sh.rst [ 38%] Building postupd_ibi.sh rst doc (from postupd ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_ibi.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_ibi.sh.rst [ 40%] Building post_add.sh rst doc (from post add) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add.sh.rst [ 40%] Building post_add_single.sh rst doc (from post add_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add_single.sh.rst [ 40%] Building postadd_copyback.sh rst doc (from postadd copyback) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ copyback --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_copyback.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ copyback --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_copyback.sh.rst [ 40%] Building postadd_compress.sh rst doc (from postadd compress) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ compress --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_compress.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ compress --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_compress.sh.rst [ 42%] Building postadd_convergence.sh rst doc (from postadd convergence) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_convergence.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_convergence.sh.rst [ 42%] Building postadd_acc_convergence.sh rst doc (from postadd acc_convergence) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ acc_convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_acc_convergence.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ acc_convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_acc_convergence.sh.rst [ 42%] Building postadd_overwrite.sh rst doc (from postadd overwrite) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ overwrite --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_overwrite.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ overwrite --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_overwrite.sh.rst [ 42%] Building postadd_plot.sh rst doc (from postadd plot) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ plot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_plot.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ plot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_plot.sh.rst [ 42%] Building postadd_average.sh rst doc (from postadd average) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_average.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_average.sh.rst [ 42%] Building postadd_smooth_at_cut_off.sh rst doc (from postadd smooth_at_cut_off) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_smooth_at_cut_off.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_smooth_at_cut_off.sh.rst [ 42%] Building convergence_check_default.sh rst doc (from convergence_check default) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convergence_check\ default --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/convergence_check_default.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convergence_check\ default --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/convergence_check_default.sh.rst [ 42%] Building resample_target.sh rst doc (from resample target) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ resample\ target --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/resample_target.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ resample\ target --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/resample_target.sh.rst [ 44%] Building update_ibi.sh rst doc (from update ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi.sh.rst [ 44%] Building update_ibi_single.sh rst doc (from update ibi_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_single.sh.rst [ 44%] Building update_ibi_pot.pl rst doc (from update ibi_pot) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_pot.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_pot.pl.rst [ 44%] Building update_iie.sh rst doc (from update iie) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_iie.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_iie.sh.rst [ 44%] Building iie.py rst doc (from update iie_pot) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/iie.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/iie.py.rst [ 44%] Building calc_rdf_generic.sh rst doc (from rdf_incl_intra generic) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ rdf_incl_intra\ generic --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_rdf_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ rdf_incl_intra\ generic --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_rdf_generic.sh.rst [ 44%] Building update_imc.sh rst doc (from update imc) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc.sh.rst [ 44%] Building update_imc_single.sh rst doc (from update imc_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc_single.sh.rst [ 44%] Building optimizer_prepare_state.sh rst doc (from optimizer prepare_state) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ prepare_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_prepare_state.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ prepare_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_prepare_state.sh.rst [ 44%] Building optimizer_parameters_to_potential.sh rst doc (from optimizer parameters_to_potential) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ parameters_to_potential --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_parameters_to_potential.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ parameters_to_potential --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_parameters_to_potential.sh.rst [ 44%] Building optimizer_state_to_potentials.sh rst doc (from optimizer state_to_potentials) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_potentials --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_potentials.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_potentials --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_potentials.sh.rst [ 44%] Building optimizer_state_to_mapping.sh rst doc (from optimizer state_to_mapping) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_mapping --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_mapping.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_mapping --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_mapping.sh.rst [ 44%] Building update_optimizer.sh rst doc (from update optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer.sh.rst [ 44%] Building update_optimizer_single.sh rst doc (from update optimizer_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer_single.sh.rst [ 44%] Building optimizer_target_rdf.sh rst doc (from optimizer_target rdf) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_rdf.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_rdf.sh.rst [ 44%] Building optimizer_target_density.sh rst doc (from optimizer_target density) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ density --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_density.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ density --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_density.sh.rst [ 44%] Building optimizer_target_pressure.sh rst doc (from optimizer_target pressure) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_pressure.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_pressure.sh.rst [ 44%] Building simplex_downhill_processor.pl rst doc (from simplex precede_state) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ simplex\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/simplex_downhill_processor.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ simplex\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/simplex_downhill_processor.pl.rst [ 44%] Building cma_processor.py rst doc (from cma precede_state) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ cma\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/cma_processor.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ cma\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/cma_processor.py.rst [ 45%] Building update_re.sh rst doc (from update re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_re.sh.rst [ 45%] Building calc_target_rdf_generic.sh rst doc (from calc target_rdf) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ target_rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_target_rdf_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ target_rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_target_rdf_generic.sh.rst [ 45%] Building pressure_cor_simple.pl rst doc (from pressure_cor simple) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ simple --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_simple.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ simple --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_simple.pl.rst [ 45%] Building pressure_cor_wjk.pl rst doc (from pressure_cor wjk) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ wjk --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_wjk.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ wjk --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_wjk.pl.rst [ 45%] Building lj_126.pl rst doc (from compute_lj 12_6) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ compute_lj\ 12_6 --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/lj_126.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ compute_lj\ 12_6 --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/lj_126.pl.rst [ 45%] Building kbibi_ramp_correction.pl rst doc (from kbibi ramp_correction) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ kbibi\ ramp_correction --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/kbibi_ramp_correction.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ kbibi\ ramp_correction --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/kbibi_ramp_correction.pl.rst [ 45%] Building calc_kbint.sh rst doc (from calc kbint) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ kbint --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_kbint.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ kbint --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_kbint.sh.rst [ 45%] Building add_POT.pl rst doc (from table add) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_POT.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_POT.pl.rst [ 45%] Building table_integrate.pl rst doc (from table integrate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ integrate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_integrate.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ integrate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_integrate.pl.rst [ 45%] Building table_extrapolate.pl rst doc (from table extrapolate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_extrapolate.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_extrapolate.pl.rst [ 47%] Building merge_tables.pl rst doc (from table merge) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ merge --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/merge_tables.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ merge --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/merge_tables.pl.rst [ 47%] Building table_smooth.pl rst doc (from table smooth) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth.pl.rst [ 47%] Building table_smooth_at_cut_off.py rst doc (from table smooth_at_cut_off) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth_at_cut_off.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth_at_cut_off.py.rst [ 47%] Building table_linearop.pl rst doc (from table linearop) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ linearop --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_linearop.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ linearop --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_linearop.pl.rst [ 47%] Building table_dummy.sh rst doc (from table dummy) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_dummy.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_dummy.sh.rst [ 47%] Building table_get_value.pl rst doc (from table get_value) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ get_value --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_get_value.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ get_value --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_get_value.pl.rst [ 47%] Building table_switch_border.pl rst doc (from table switch_border) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ switch_border --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_switch_border.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ switch_border --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_switch_border.pl.rst [ 47%] Building table_combine.pl rst doc (from table compare) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ compare --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_combine.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ compare --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_combine.pl.rst [ 47%] Building table_average.sh rst doc (from table average) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_average.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_average.sh.rst [ 49%] Building table_scale.pl rst doc (from table scale) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_scale.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_scale.pl.rst [ 50%] Building table_change_flag.sh rst doc (from table change_flag) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ change_flag --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_change_flag.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ change_flag --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_change_flag.sh.rst [ 50%] Building table_functional.sh rst doc (from table functional) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ functional --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_functional.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ functional --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_functional.sh.rst [ 52%] Building potential_extrapolate.sh rst doc (from potential extrapolate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_extrapolate.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_extrapolate.sh.rst [ 52%] Building potential_shift.pl rst doc (from potential shift) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_shift.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_shift.pl.rst [ 52%] Building table_to_tab.pl rst doc (from convert_potential tab) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ tab --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_tab.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ tab --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_tab.pl.rst [ 54%] Building dist_adjust.pl rst doc (from dist adjust) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ adjust --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_adjust.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ adjust --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_adjust.pl.rst [ 54%] Building dist_boltzmann_invert.pl rst doc (from dist invert) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ invert --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_boltzmann_invert.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ invert --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_boltzmann_invert.pl.rst [ 54%] Building tables_jackknife.pl rst doc (from tables jackknife) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tables\ jackknife --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tables_jackknife.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tables\ jackknife --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tables_jackknife.pl.rst [ 54%] Building initialize_step_genericsim.sh rst doc (from initstep gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_genericsim.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_genericsim.sh.rst [ 54%] Building run_gromacs.sh rst doc (from run gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_gromacs.sh.rst [ 54%] Building clean_generic.sh rst doc (from clean gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ clean\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/clean_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ clean\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/clean_generic.sh.rst [ 55%] Building calc_pressure_gromacs.sh rst doc (from pressure gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_gromacs.sh.rst [ 55%] Building calc_pressure_lammps.sh rst doc (from pressure lammps) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_lammps.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_lammps.sh.rst [ 57%] Building imc_stat_generic.sh rst doc (from imc_stat gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ imc_stat\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/imc_stat_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ imc_stat\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/imc_stat_generic.sh.rst [ 57%] Building calc_density_generic.sh rst doc (from density gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ density\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_density_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ density\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_density_generic.sh.rst [ 57%] Building potential_to_gromacs.sh rst doc (from convert_potential gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_gromacs.sh.rst [ 57%] Building potentials_to_generic.sh rst doc (from convert_potentials gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_generic.sh.rst [ 57%] Building table_to_xvg.pl rst doc (from convert_potential xvg) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ xvg --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_xvg.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ xvg --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_xvg.pl.rst [ 57%] Building functions_gromacs.sh rst doc (from functions gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_gromacs.sh.rst [ 57%] Building run_genericsim.sh rst doc (from run espresso) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_genericsim.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_genericsim.sh.rst [ 57%] Building potential_to_generic.sh rst doc (from convert_potential espresso) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_generic.sh.rst [ 57%] Building functions_genericsim.sh rst doc (from functions espresso) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_genericsim.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_genericsim.sh.rst [ 57%] Building potential_to_lammps.sh rst doc (from convert_potential lammps) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_lammps.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_lammps.sh.rst [ 57%] Building functions_dlpoly.sh rst doc (from functions dlpoly) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_dlpoly.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_dlpoly.sh.rst [ 57%] Building potential_to_dlpoly.sh rst doc (from convert_potential dlpoly) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_dlpoly.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_dlpoly.sh.rst [ 57%] Building potentials_to_dlpoly.sh rst doc (from convert_potentials dlpoly) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_dlpoly.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_dlpoly.sh.rst make[5]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 57%] Built target csg-scripts-rst make -f csg/share/xml/CMakeFiles/csg-xml-rst.dir/build.make csg/share/xml/CMakeFiles/csg-xml-rst.dir/depend @@ -26887,2243 +26923,2243 @@ make[2]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/votca-2024' dh_auto_build -Nvotca-data -Nvotca-tutorials - cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/votca-2024 -B/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/depend -make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/depend -make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/depend -make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/depend -make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend +make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man/CMakeFiles/votca_csg_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" +make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build +make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build +[ 0%] Built target votca_tools_manpages +make[3]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 0%] Built target csg_call_manpage +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend +[ 0%] Built target csg_inverse_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend +[ 0%] Built target votca_csg_manpages +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 0%] Built target xtp_basisset_manpage +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build +[ 0%] Built target gitversion make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/build -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build'. +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build'. -make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target xtp_update_mapfile_manpage +[ 1%] Built target xtp_modify_jobfile_manpage +make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" +[ 1%] Built target xtp_autogen_mapping_manpage +make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build'. +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" +[ 1%] Built target xtp_qmmm2qm_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend +[ 1%] Built target csg_call_build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build -make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_build.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_manpage.dir/build'. +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target csg_inverse_build +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend +[ 1%] Built target xtp_basisset_build +[ 1%] Built target xtp_update_mapfile_build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 0%] Built target votca_tools_manpages -[ 0%] Built target xtp_basisset_manpage -[ 0%] Built target xtp_autogen_mapping_manpage -[ 0%] Built target xtp_modify_jobfile_manpage -[ 0%] Built target csg_inverse_manpage -[ 0%] Built target csg_call_build -[ 0%] Built target votca_csg_manpages -[ 0%] Built target xtp_qmmm2qm_manpage -[ 0%] Built target xtp_update_mapfile_build -[ 0%] Built target csg_inverse_build -[ 0%] Built target xtp_basisset_build -[ 0%] Built target csg_call_manpage -[ 1%] Built target xtp_autogen_mapping_build -[ 1%] Built target xtp_update_mapfile_manpage -[ 1%] Built target xtp_qmmm2qm_build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" [ 1%] Built target xtp_modify_jobfile_build -[ 1%] Generating xtp_benchmark.install -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 1%] Built target gitversion make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/depend +[ 1%] Built target xtp_autogen_mapping_build +[ 1%] Built target xtp_qmmm2qm_build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 1%] Built target xtp_benchmark_build +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake "--color=" +[ 1%] Generating xtp_benchmark.install +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'tools/src/libtools/CMakeFiles/votca_tools.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target xtp_benchmark_build [ 7%] Built target votca_tools make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/depend make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/depend make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_constants.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/compiler_depend.internal". cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_constants.dir/compiler_depend.internal". cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_datacollection.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edge_base.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_elements.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_filesystem.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_base.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend +Consolidate compiler generated dependencies of target unit_test_calculator +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend +make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_constants make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" +cd 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tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/build +Consolidate compiler generated dependencies of target unit_test_correlate +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/build +Consolidate compiler generated dependencies of target unit_test_crosscorrelate +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edge_base.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build +Consolidate compiler generated dependencies of target unit_test_cubicspline make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_calculator.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_constants.dir/build'. +Consolidate compiler generated dependencies of target unit_test_datacollection +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_elements.dir/compiler_depend.internal". +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_correlate.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build +Consolidate compiler generated dependencies of target unit_test_edge_base make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg/CMakeFiles/votca_csg.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_edgecontainer +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build +Consolidate compiler generated dependencies of target unit_test_elements make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 7%] Built target votca_property make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 7%] Built target unit_test_calculator make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_elements.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 7%] Built target unit_test_constants +make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/build +[ 9%] Built target unit_test_correlate +[ 9%] Built target unit_test_crosscorrelate +[ 10%] Built target unit_test_cubicspline +[ 10%] Built target unit_test_datacollection +make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/depend +[ 10%] Built target unit_test_edge_base make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_filesystem.dir/DependInfo.cmake "--color=" +[ 11%] Built target unit_test_edgecontainer make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/DependInfo.cmake "--color=" -Dependencies file "tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/depend +[ 12%] Built target unit_test_elements make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/DependInfo.cmake "--color=" -Dependencies file "tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_constants.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_base.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/depend Dependencies file "tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_filesystem.dir/compiler_depend.internal". -make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" -Dependencies file "tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_elements.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edge_base.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_datacollection.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_filesystem make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/build -Dependencies file 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/DependInfo.cmake "--color=" Consolidate compiler generated dependencies of target unit_test_floatingpointcomparison -Consolidate compiler generated dependencies of target unit_test_datacollection -Dependencies file "tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_base.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build -Dependencies file "tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/compiler_depend.internal". -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/compiler_depend.internal". -Consolidate 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unit_test_graphdistvisitor -Consolidate compiler generated dependencies of target unit_test_elements Consolidate compiler generated dependencies of target unit_test_graphalgorithm -make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/compiler_depend.internal". -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build -Dependencies file "tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/compiler_depend.internal". -make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/compiler_depend.internal". -make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build +Consolidate compiler generated dependencies of target unit_test_graph_df_visitor +Consolidate compiler generated dependencies of target unit_test_graph_bf_visitor make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory 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tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/libcsg/CMakeFiles/votca_csg.dir/build'. make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build -Dependencies file "tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_graphnode make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build -Consolidate compiler generated dependencies of target unit_test_histogramnew +Consolidate compiler generated dependencies of target unit_test_graphdistvisitor +[ 12%] Built target unit_test_filesystem +Consolidate compiler generated dependencies of target unit_test_graphnode +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_objectfactory -Dependencies file "tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_graphvisitor make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_identity -Consolidate compiler generated dependencies of target unit_test_linalg +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_optionshandler +make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_unitconverter +[ 14%] Built target unit_test_floatingpointcomparison +make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 22%] Built target votca_csg +Consolidate compiler generated dependencies of target unit_test_graphvisitor +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_reducedgraph make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graphalgorithm +[ 23%] Built target unit_test_graph_base +[ 23%] Built target unit_test_graph_bf_visitor +[ 23%] Built target unit_test_graph_df_visitor +make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graphdistvisitor +make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" +[ 23%] Built target unit_test_graphnode +make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/depend +[ 23%] Built target unit_test_graphvisitor +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend +Consolidate compiler generated dependencies of target unit_test_histogramnew +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_identity +Consolidate compiler generated dependencies of target unit_test_linalg make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/compiler_depend.internal". make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_name +Dependencies file "tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/compiler_depend.internal". make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build +Consolidate compiler generated dependencies of target unit_test_objectfactory make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_constants.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_identity.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_elements.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linalg.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_name.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build'. +Dependencies file "tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_optionshandler make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build'. +Consolidate compiler generated dependencies of target unit_test_property make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build +Consolidate compiler generated dependencies of target unit_test_reducededge make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build +[ 24%] Built target unit_test_histogramnew +Consolidate compiler generated dependencies of target unit_test_reducedgraph make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build +[ 24%] Built target unit_test_identity make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_name.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_property.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 25%] Built target unit_test_linalg +[ 27%] Built target unit_test_name +[ 28%] Built target unit_test_objectfactory +[ 28%] Built target unit_test_optionshandler +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend +[ 28%] Built target unit_test_property make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linalg.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" +[ 28%] Built target unit_test_reducededge +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 28%] Built target unit_test_reducedgraph +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_identity.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_table +make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_structureparameters +Dependencies file "tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_thread make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_tokenizer +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 9%] Built target unit_test_cubicspline -[ 10%] Built target unit_test_floatingpointcomparison -[ 10%] Built target votca_property -[ 10%] Built target unit_test_constants -[ 11%] Built target unit_test_graphalgorithm -make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/depend -[ 11%] Built target unit_test_graph_bf_visitor -[ 11%] Built target unit_test_graph_base -[ 11%] Built target unit_test_graph_df_visitor +Consolidate compiler generated dependencies of target unit_test_akimaspline +Consolidate compiler generated dependencies of target unit_test_random +Dependencies file "tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property_manpage.dir/DependInfo.cmake "--color=" -[ 11%] Built target unit_test_crosscorrelate -[ 11%] Built target unit_test_graphdistvisitor -[ 12%] Built target unit_test_histogramnew +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg/CMakeFiles/votca_csg.dir/DependInfo.cmake "--color=" -[ 12%] Built target unit_test_datacollection -[ 12%] Built target unit_test_edge_base -[ 14%] Built target unit_test_elements -[ 15%] Built target unit_test_edgecontainer -[ 15%] Built target unit_test_graphvisitor -[ 15%] Built target unit_test_unitconverter -[ 16%] Built target unit_test_name -[ 18%] Built target unit_test_linalg -[ 18%] Built target unit_test_reducedgraph -[ 18%] Built target unit_test_identity -[ 19%] Built target unit_test_objectfactory -[ 19%] Built target unit_test_graphnode +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_table.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/build +Consolidate compiler generated dependencies of target unit_test_unitconverter +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/compiler_depend.internal". +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_linspline make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 19%] Built target unit_test_optionshandler -[ 19%] Built target votca_property_manpage +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_thread.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/libcsg/CMakeFiles/votca_csg.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 27%] Built target votca_csg -make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/depend -make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/depend -make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/depend -make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/depend -make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/depend -make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/depend -make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/depend -make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/depend -make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/depend -make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/depend -make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/depend -make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/depend -make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/depend -make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/depend -make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build +Consolidate compiler generated dependencies of target unit_test_NDimVector make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate.dir/DependInfo.cmake "--color=" -make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/depend +make[3]: Leaving directory 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"--color=" -make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 29%] Built target unit_test_eigenio_matrixmarket +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/depend cd 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csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/DependInfo.cmake "--color=" +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/DependInfo.cmake "--color=" +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_beadtriple make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_basebead make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf.dir/DependInfo.cmake "--color=" -Consolidate compiler generated dependencies of target unit_test_correlate -Consolidate compiler generated dependencies of target unit_test_thread -Consolidate compiler generated dependencies of target unit_test_eigenio_matrixmarket -Consolidate compiler generated dependencies of target unit_test_linspline -Consolidate compiler generated dependencies of target unit_test_akimaspline -Consolidate compiler generated dependencies of target unit_test_tokenizer +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_beadmotif_algorithms make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_filesystem +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_NDimVector -Consolidate compiler generated dependencies of target unit_test_calculator -Consolidate compiler generated dependencies of target unit_test_reducededge -Consolidate compiler generated dependencies of target unit_test_structureparameters -Consolidate compiler generated dependencies of target unit_test_property -Consolidate compiler generated dependencies of target unit_test_random -Consolidate compiler generated dependencies of target unit_test_table +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/build +Consolidate compiler generated dependencies of target unit_test_beadmotif_base make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_beadmotif_connector +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_beadstructure_algorithms make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_basebead.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/build +Consolidate compiler generated dependencies of target unit_test_beadstructure_base make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_csg_topology make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_interaction +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build +Consolidate compiler generated dependencies of target unit_test_lammpsdatareader +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_interaction.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 29%] Built target unit_test_beadtriple +[ 29%] Built target unit_test_basebead +[ 31%] Built target unit_test_beadmotif_algorithms +[ 31%] Built target unit_test_beadmotif_base +[ 31%] Built target unit_test_beadmotif_connector +[ 32%] Built target unit_test_beadstructure_base +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/depend +[ 32%] Built target unit_test_beadstructure_algorithms +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/depend +[ 32%] Built target unit_test_csg_topology +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/DependInfo.cmake "--color=" +[ 33%] Built target unit_test_interaction +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/depend +[ 33%] Built target unit_test_lammpsdatareader +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend +Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/compiler_depend.internal". +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" +Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/DependInfo.cmake "--color=" +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend +Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/DependInfo.cmake "--color=" +Dependencies file "csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_lammpsdumpreaderwriter +Consolidate compiler generated dependencies of target unit_test_nblist_3body +Consolidate compiler generated dependencies of target unit_test_boundarycondition +Dependencies file "csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build +Consolidate compiler generated dependencies of target unit_test_nblistgrid_3body make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build +Consolidate compiler generated dependencies of target unit_test_pdbreader make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_triplelist +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target template_serial +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target template_threaded +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/build -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/compiler_depend.internal". -make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/compiler_depend.internal". -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/build -make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/build -make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/build -make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/build -make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/build -make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/build -make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/build +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_thread.dir/build'. +make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_serial.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_threaded.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build -make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/build -Consolidate compiler generated dependencies of target unit_test_beadstructure_algorithms -Consolidate compiler generated dependencies of target unit_test_beadtriple -make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/build -make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/build -make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build +[ 33%] Built target unit_test_nblist_3body +[ 33%] Built target unit_test_lammpsdumpreaderwriter +[ 33%] Built target unit_test_nblistgrid_3body +[ 35%] Built target unit_test_boundarycondition +[ 35%] Built target unit_test_pdbreader +make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/depend +[ 36%] Built target unit_test_triplelist +make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/depend +[ 36%] Built target template_serial +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/depend +[ 36%] Built target template_threaded +make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/depend +make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/build -make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/build -make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property.dir/DependInfo.cmake "--color=" +make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_correlate.dir/build'. +make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_calculator.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/build +make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_table.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/build -make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/build -make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/build -make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build'. +make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/build +make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_random.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Built target votca_property_manpage +make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_property.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build'. +make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linspline.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_bead +[ 36%] Built target csg_reupdate make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Built target csg_map +make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/depend +[ 37%] Built target csg_dump +[ 37%] Built target csg_property +make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/depend +make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/depend +[ 38%] Built target csg_resample make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch.dir/DependInfo.cmake "--color=" +[ 38%] Built target csg_stat make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/depend +make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol.dir/DependInfo.cmake "--color=" +make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/depend +make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample.dir/build'. +make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_beadstructure_base +make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_beadmotif_base make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_beadmotif_algorithms -Consolidate compiler generated dependencies of target unit_test_basebead +make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations.dir/build'. +make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build +make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 38%] Built target csg_fmatch make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_beadmotif_connector -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist.dir/build'. -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build +make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/orientcorr.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target csg_gmxtopol +[ 41%] Built target csg_dlptopol +[ 41%] Built target csg_density +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/depend +[ 41%] Built target csg_imc_solve +[ 41%] Built target fluctuations +make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/depend +[ 42%] Built target votca_csg_boltzmann +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist.dir/DependInfo.cmake "--color=" +[ 42%] Built target orientcorr +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp/CMakeFiles/votca_xtp.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build'. +make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force.dir/build'. +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder.dir/build'. +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/compiler_depend.internal". +make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 29%] Built target unit_test_correlate -[ 29%] Built target unit_test_table -[ 29%] Built target unit_test_calculator -[ 29%] Built target unit_test_structureparameters -[ 29%] Built target unit_test_filesystem -[ 29%] Built target unit_test_thread make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bead.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 29%] Built target unit_test_property -[ 29%] Built target unit_test_reducededge -[ 29%] Built target unit_test_tokenizer -[ 29%] Built target unit_test_akimaspline +Consolidate compiler generated dependencies of target unit_test_bondedstatistics make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build'. -[ 29%] Built target unit_test_random +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 29%] Built target unit_test_linspline -[ 29%] Built target unit_test_eigenio_matrixmarket -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 31%] Built target csg_map -[ 31%] Built target unit_test_NDimVector make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_basebead.dir/build'. +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build +[ 44%] Built target part_dist +Consolidate compiler generated dependencies of target unit_test_tabulatedpotential make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 31%] Built target csg_dump -[ 31%] Built target csg_property +[ 44%] Built target partial_rdf make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/depend -[ 32%] Built target csg_reupdate -[ 32%] Built target csg_stat -[ 32%] Built target csg_resample -make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/DependInfo.cmake "--color=" -[ 32%] Built target csg_density -make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/depend -[ 32%] Built target csg_imc_solve -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" -[ 32%] Built target csg_fmatch -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/DependInfo.cmake "--color=" -[ 33%] Built target votca_csg_boltzmann -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/DependInfo.cmake "--color=" -[ 35%] Built target part_dist -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 36%] Built target csg_gmxtopol -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/DependInfo.cmake "--color=" -[ 36%] Built target orientcorr -make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" -[ 37%] Built target csg_dlptopol -[ 37%] Built target fluctuations -[ 37%] Built target radii -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend -[ 37%] Built target partial_rdf -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" -make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend -make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build +[ 44%] Built target radii +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build +[ 44%] Built target sphericalorder +[ 44%] Built target traj_force make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend -[ 37%] Built target unit_test_beadstructure_algorithms -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template 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/build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" -[ 37%] Built target traj_force -make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend -[ 37%] Built target sphericalorder +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 37%] Built target unit_test_beadmotif_base cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend +[ 44%] Built target unit_test_bondedstatistics +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend +make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend -[ 37%] Built target unit_test_bead -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" -[ 37%] Built target unit_test_basebead -Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" -[ 40%] Built target unit_test_beadstructure_base -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend -[ 40%] Built target unit_test_beadmotif_algorithms -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend -[ 40%] Built target unit_test_beadmotif_connector -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend -Dependencies file "csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/compiler_depend.internal". -make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" -Dependencies file "csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" -Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend -Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/compiler_depend.internal". -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" -Dependencies file "csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/compiler_depend.internal". -Dependencies file "csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_nblist_3body -Consolidate compiler generated dependencies of target unit_test_boundarycondition +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_interaction +[ 44%] Built target unit_test_tabulatedpotential +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build -make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_pdbreader -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_lammpsdatareader -make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/build -Consolidate compiler generated dependencies of target unit_test_csg_topology make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build +[ 44%] Built target csg_reupdate_manpage +[ 44%] Built target csg_map_manpage +[ 44%] Built target csg_dump_manpage +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend +[ 44%] Built target csg_property_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property_manpage.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" +[ 44%] Built target csg_resample_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend +[ 45%] Built target csg_stat_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_lammpsdumpreaderwriter -make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build -Consolidate compiler generated dependencies of target unit_test_nblistgrid_3body -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_triplelist make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build -Dependencies file "csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/compiler_depend.internal". -make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target template_threaded -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build +[ 45%] Built target csg_fmatch_manpage +[ 68%] Built target votca_xtp make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build +[ 68%] Built target csg_gmxtopol_manpage +[ 68%] Built target csg_dlptopol_manpage +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend +[ 68%] Built target csg_density_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build'. +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 68%] Built target csg_imc_solve_manpage +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 70%] Built target csg_boltzmann +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target template_serial make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build'. +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build'. -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_interaction.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 70%] Built target fluctuations_manpage +[ 70%] Built target orientcorr_manpage +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend +[ 70%] Built target part_dist_manpage +[ 70%] Built target partial_rdf_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" +[ 71%] Built target radii_manpage +make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/depend +[ 71%] Built target sphericalorder_manpage +make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build -Consolidate compiler generated dependencies of target unit_test_bondedstatistics +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_dump_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_reupdate_manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_property_manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_map_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_serial.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_tabulatedpotential +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build'. +make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_threaded.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 41%] Built target csg_stat_manpage make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build -[ 42%] Built target unit_test_boundarycondition -[ 42%] Built target unit_test_nblist_3body -[ 42%] Built target csg_resample_manpage -[ 42%] Built target csg_density_manpage -[ 42%] Built target csg_fmatch_manpage -[ 42%] Built target csg_dlptopol_manpage -[ 42%] Built target csg_gmxtopol_manpage +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/compiler_depend.internal". +make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build'. +make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/compiler_depend.internal". +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Built target unit_test_interaction -[ 44%] Built target unit_test_lammpsdatareader -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build'. +Consolidate compiler generated dependencies of target unit_test_adiis +[ 71%] Built target traj_force_manpage make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Built target csg_imc_solve_manpage -[ 44%] Built target fluctuations_manpage -[ 44%] Built target unit_test_lammpsdumpreaderwriter -[ 45%] Built target radii_manpage -[ 45%] Built target unit_test_nblistgrid_3body -[ 45%] Built target orientcorr_manpage +make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build +Consolidate compiler generated dependencies of target unit_test_aobasis make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Built target unit_test_triplelist -[ 46%] Built target partial_rdf_manpage -[ 46%] Built target template_threaded -[ 46%] Built target unit_test_csg_topology -[ 46%] Built target template_serial -[ 46%] Built target traj_force_manpage -[ 46%] Built target unit_test_pdbreader -[ 46%] Built target sphericalorder_manpage -[ 46%] Built target part_dist_manpage -[ 46%] Built target unit_test_bondedstatistics -[ 48%] Built target csg_boltzmann -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" -[ 48%] Built target unit_test_tabulatedpotential +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Built target csg_boltzmann_manpage +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build +Consolidate compiler generated dependencies of target unit_test_aomatrix +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp/CMakeFiles/votca_xtp.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build +[ 71%] Built target xtp_map +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Built target votca_xtp -make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/depend +[ 72%] Built target xtp_run make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend +[ 72%] Built target xtp_tools make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/depend +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/depend +[ 72%] Built target unit_test_adiis make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/depend +[ 72%] Built target unit_test_aobasis make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/DependInfo.cmake "--color=" +[ 72%] Built target unit_test_aomatrix +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/compiler_depend.internal". cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_atom make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/DependInfo.cmake "--color=" -make -f 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/DependInfo.cmake "--color=" 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+make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_qmatom Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/compiler_depend.internal". 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" -Dependencies file 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_atom +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/build -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o.d" is newer than depends 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/compiler_depend.internal". Consolidate compiler generated dependencies of target unit_test_qmmolecule -Consolidate compiler generated dependencies of target unit_test_aomatrix -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_aobasis +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_atom.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build +Consolidate compiler generated dependencies of target unit_test_basisset make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_bseoperator_btda +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_aotransform -Consolidate compiler generated dependencies of target unit_test_aomatrix3d -Consolidate compiler generated dependencies of target unit_test_bse -Consolidate compiler generated dependencies of target unit_test_aopotential -Consolidate compiler generated dependencies of target unit_test_polarsegment -make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build +Consolidate compiler generated dependencies of target unit_test_bfgs_trm make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/compiler_depend.internal". -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_diis -Consolidate compiler generated dependencies of target unit_test_eigen -Consolidate compiler generated dependencies of target unit_test_bseoperator_btda -Consolidate compiler generated dependencies of target unit_test_qmatom -Consolidate compiler generated dependencies of target unit_test_basisset +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build +Consolidate compiler generated dependencies of target unit_test_bse make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_dftcoupling -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/compiler_depend.internal". -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/compiler_depend.internal". -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build Consolidate compiler generated dependencies of target unit_test_convergenceacc -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/compiler_depend.internal". -make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build -Consolidate compiler generated dependencies of target unit_test_glink -Consolidate compiler generated dependencies of target unit_test_ecpaobasis -Consolidate compiler generated dependencies of target unit_test_bfgs_trm +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 72%] Built target unit_test_aomatrix3d make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run.dir/build'. make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_atom.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 72%] Built target unit_test_aotransform +[ 74%] Built target unit_test_aopotential +[ 75%] Built target unit_test_atom +[ 76%] Built target unit_test_qmatom +[ 76%] Built target unit_test_polarsegment +[ 76%] Built target unit_test_qmmolecule +[ 76%] Built target unit_test_basisset +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/depend +[ 77%] Built target unit_test_bseoperator_btda +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/depend +[ 77%] Built target unit_test_bfgs_trm +[ 77%] Built target unit_test_bse +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/DependInfo.cmake "--color=" +[ 77%] Built target unit_test_convergenceacc +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eris.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/depend +Consolidate compiler generated dependencies of target unit_test_diis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eris.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_densityintegration +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_dftcoupling +Consolidate compiler generated dependencies of target unit_test_eigen make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_hdf5 -make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build +Consolidate compiler generated dependencies of target unit_test_ecpaobasis make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build +Consolidate compiler generated dependencies of target unit_test_glink Consolidate compiler generated dependencies of target unit_test_eris -Consolidate compiler generated dependencies of target unit_test_staticsite -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_cubefile_writer -Consolidate compiler generated dependencies of target unit_test_qmnblist -Consolidate compiler generated dependencies of target unit_test_vxc_potential -Consolidate compiler generated dependencies of target unit_test_vxc_grid -Consolidate compiler generated dependencies of target unit_test_qmpair -Consolidate compiler generated dependencies of target unit_test_orbitals -make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/compiler_depend.internal". +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build -Consolidate compiler generated dependencies of target unit_test_espfit -Consolidate compiler generated dependencies of target unit_test_regular_grid +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build +Consolidate compiler generated dependencies of target unit_test_espfit make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build +Consolidate compiler generated dependencies of target unit_test_hdf5 +[ 79%] Built target unit_test_diis make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_glink.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eris.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build +Consolidate compiler generated dependencies of target unit_test_cubefile_writer make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build +Consolidate compiler generated dependencies of target unit_test_densityintegration +[ 79%] Built target unit_test_dftcoupling make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diis.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build +[ 79%] Built target unit_test_ecpaobasis make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_polarsite +[ 79%] Built target unit_test_eigen +[ 79%] Built target unit_test_eris +[ 79%] Built target unit_test_glink +[ 79%] Built target unit_test_espfit +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/depend +[ 79%] Built target unit_test_hdf5 +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" +[ 79%] Built target unit_test_cubefile_writer make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/DependInfo.cmake "--color=" +[ 80%] Built target unit_test_densityintegration +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/compiler_depend.internal". +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_vxc_potential make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_qmstate -Consolidate compiler generated dependencies of target unit_test_rpa make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_ppm -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_vxc_grid make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build +Consolidate compiler generated dependencies of target unit_test_regular_grid make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/compiler_depend.internal". make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build'. +Consolidate compiler generated dependencies of target unit_test_staticsite +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_polarsite +Consolidate compiler generated dependencies of target unit_test_orbitals make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/compiler_depend.internal". make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build +Consolidate compiler generated dependencies of target unit_test_ppm make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_qmnblist +[ 80%] Built target unit_test_vxc_potential make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_qmpair +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build +Consolidate compiler generated dependencies of target unit_test_qmstate make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_glink.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build -Consolidate compiler generated dependencies of target unit_test_radial_euler_maclaurin_rule make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Built target xtp_parallel -[ 71%] Built target xtp_map -make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build -Consolidate compiler generated dependencies of target unit_test_rpa_h2p make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 80%] Built target unit_test_vxc_grid +[ 80%] Built target unit_test_regular_grid +[ 80%] Built target unit_test_orbitals +[ 81%] Built target unit_test_polarsite +[ 81%] Built target unit_test_staticsite +[ 81%] Built target unit_test_ppm +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/DependInfo.cmake "--color=" +[ 81%] Built target unit_test_qmnblist +make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/depend +[ 83%] Built target unit_test_qmpair make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/depend +[ 83%] Built target unit_test_qmstate +make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_radial_euler_maclaurin_rule make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eris.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build +Consolidate compiler generated dependencies of target unit_test_rpa make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build +Consolidate compiler generated dependencies of target unit_test_segment +Consolidate compiler generated dependencies of target unit_test_rpa_h2p +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build'. +Consolidate compiler generated dependencies of target unit_test_aoshell make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_sphere_lebedev_rule make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Built target unit_test_adiis -[ 72%] Built target unit_test_atom -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build +Consolidate compiler generated dependencies of target unit_test_symmetric_matrix make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Built target xtp_run -[ 74%] Built target unit_test_aomatrix3d -[ 74%] Built target xtp_tools -[ 74%] Built target unit_test_aobasis -[ 74%] Built target unit_test_qmmolecule -[ 74%] Built target unit_test_dftcoupling -[ 74%] Built target unit_test_bse -[ 74%] Built target unit_test_aotransform -make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/depend -[ 74%] Built target unit_test_eigen -[ 74%] Built target unit_test_aomatrix -[ 74%] Built target unit_test_basisset +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend -[ 75%] Built target unit_test_ecpaobasis -[ 75%] Built target unit_test_convergenceacc -[ 75%] Built target unit_test_bfgs_trm -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend -[ 75%] Built target unit_test_aopotential +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segment.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build +Consolidate compiler generated dependencies of target unit_test_statetracker +Consolidate compiler generated dependencies of target unit_test_threecenter_dft +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_threecenter_gwbse +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" -[ 77%] Built target unit_test_glink -[ 79%] Built target unit_test_qmatom -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend -[ 75%] Built target unit_test_polarsegment -[ 79%] Built target unit_test_diis +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build +[ 83%] Built target unit_test_radial_euler_maclaurin_rule make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend -[ 79%] Built target unit_test_bseoperator_btda +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_rpa +[ 84%] Built target unit_test_rpa_h2p +[ 84%] Built target unit_test_segment +[ 84%] Built target unit_test_aoshell +[ 84%] Built target unit_test_sphere_lebedev_rule +[ 84%] Built target unit_test_symmetric_matrix +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend +[ 85%] Built target unit_test_statetracker make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend +[ 85%] Built target unit_test_threecenter_dft make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" -[ 79%] Built target unit_test_cubefile_writer -[ 79%] Built target unit_test_eris -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend +[ 87%] Built target unit_test_threecenter_gwbse make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/DependInfo.cmake "--color=" -[ 79%] Built target unit_test_hdf5 -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/DependInfo.cmake "--color=" -[ 80%] Built target unit_test_densityintegration +Consolidate compiler generated dependencies of target unit_test_topology make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_sigma_exact +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend -[ 80%] Built target unit_test_espfit -make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" -[ 81%] Built target unit_test_qmpair -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/DependInfo.cmake "--color=" -[ 81%] Built target unit_test_vxc_potential -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend -[ 81%] Built target unit_test_ppm -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" -[ 81%] Built target unit_test_regular_grid -[ 81%] Built target unit_test_orbitals -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend -[ 81%] Built target unit_test_staticsite -[ 83%] Built target unit_test_polarsite -[ 83%] Built target unit_test_qmstate -[ 83%] Built target unit_test_qmnblist -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" -[ 83%] Built target unit_test_radial_euler_maclaurin_rule -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" -[ 84%] Built target unit_test_rpa -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend -[ 84%] Built target unit_test_rpa_h2p -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/compiler_depend.internal". -make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/compiler_depend.internal". -[ 84%] Built target unit_test_vxc_grid -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/compiler_depend.internal". -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/compiler_depend.internal". -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make 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"--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build Dependencies file "xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_segment -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/compiler_depend.internal". 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_bse_operator +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build Consolidate compiler generated dependencies of target unit_test_sigma_cda make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file 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Consolidate compiler generated dependencies of target unit_test_gw -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build -Consolidate compiler generated dependencies of target unit_test_segmentmapper -Consolidate compiler generated dependencies of target unit_test_topology -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_eeinteractor make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/compiler_depend.internal". -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_bse_operator make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_threecenter_dft -Consolidate compiler generated dependencies of target unit_test_jobtopology -Consolidate compiler generated dependencies of target unit_test_grid Consolidate compiler generated dependencies of target unit_test_davidson -Consolidate compiler generated dependencies of target unit_test_sigma_exact -Consolidate compiler generated dependencies of target unit_test_populationanalysis -Consolidate compiler generated dependencies of target unit_test_gnode -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_qmfragment +make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build +Consolidate compiler generated dependencies of target unit_test_trustregion make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_hist -Consolidate compiler generated dependencies of target unit_test_sigma_ppm -Consolidate compiler generated dependencies of target unit_test_DeltaQ_filter make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segment.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_rate_engine -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build -Consolidate compiler generated dependencies of target unit_test_oscillatorstrength_filter +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build -Consolidate compiler generated dependencies of target unit_test_newton_rapson -Consolidate compiler generated dependencies of target unit_test_orca -Consolidate compiler generated dependencies of target unit_test_indexparser -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build -Consolidate compiler generated dependencies of target unit_test_dftengine -Consolidate compiler generated dependencies of target unit_test_dipoledipoleinteraction +Consolidate compiler generated dependencies of target unit_test_vc2index make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_localisation_filter -Consolidate compiler generated dependencies of target unit_test_overlap_filter -Consolidate compiler generated dependencies of target unit_test_bsecoupling -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_gnode +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gw.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_threecenter_gwbse +make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build +Consolidate compiler generated dependencies of target unit_test_grid +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_molden make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build'. -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build +[ 87%] Built target unit_test_topology make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_grid.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 87%] Built target unit_test_sigma_exact +[ 87%] Built target unit_test_sigma_ppm +[ 88%] Built target unit_test_sigma_cda +[ 88%] Built target unit_test_gw +[ 88%] Built target unit_test_bse_operator +[ 88%] Built target unit_test_davidson +[ 88%] Built target unit_test_trustregion +make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend +[ 89%] Built target unit_test_gnode make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend +[ 90%] Built target unit_test_vc2index +make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" +[ 92%] Built target unit_test_grid +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_segmentmapper +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_eeinteractor +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build +Consolidate compiler generated dependencies of target unit_test_hist make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build -Consolidate compiler generated dependencies of target unit_test_incrementalfockbuilder +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_qmfragment make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/compiler_depend.internal". make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gw.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_jobtopology make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build +Consolidate compiler generated dependencies of target unit_test_dipoledipoleinteraction +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build -Consolidate compiler generated dependencies of target unit_test_density_filter -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_grid.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_orbreorder -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build +Consolidate compiler generated dependencies of target unit_test_orca +Consolidate compiler generated dependencies of target unit_test_populationanalysis +Consolidate compiler generated dependencies of target unit_test_dftengine make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_anderson -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_topology.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_parallelism -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build'. -Consolidate compiler generated dependencies of target unit_test_gaussianwriter -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build +Consolidate compiler generated dependencies of target unit_test_bsecoupling make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_rate_engine make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orca.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_segmentmapper +[ 92%] Built target unit_test_eeinteractor +[ 92%] Built target unit_test_hist +[ 92%] Built target unit_test_qmfragment +[ 92%] Built target unit_test_jobtopology +[ 92%] Built target unit_test_dipoledipoleinteraction +[ 92%] Built target unit_test_orca +[ 92%] Built target unit_test_populationanalysis +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend +[ 92%] Built target unit_test_dftengine make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend +[ 92%] Built target unit_test_bsecoupling make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend +[ 93%] Built target unit_test_rate_engine make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hist.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend +Consolidate compiler generated dependencies of target unit_test_DeltaQ_filter make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_oscillatorstrength_filter make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orca.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/depend +Consolidate compiler generated dependencies of target unit_test_localisation_filter make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_density_filter +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build +Consolidate compiler generated dependencies of target unit_test_newton_rapson make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/compiler_depend.internal". +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build'. +Consolidate compiler generated dependencies of target unit_test_overlap_filter +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build'. +Consolidate compiler generated dependencies of target unit_test_indexparser +Consolidate compiler generated dependencies of target unit_test_orbreorder +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_molden +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_gaussianwriter make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_molden.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_incrementalfockbuilder make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_molden.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Built target unit_test_aoshell -[ 85%] Built target unit_test_statetracker -[ 85%] Built target unit_test_segment -[ 85%] Built target unit_test_topology -[ 85%] Built target unit_test_symmetric_matrix -[ 85%] Built target unit_test_sphere_lebedev_rule -[ 85%] Built target unit_test_bse_operator -[ 87%] Built target unit_test_vc2index -[ 87%] Built target unit_test_gw -[ 87%] Built target unit_test_trustregion -[ 87%] Built target unit_test_threecenter_dft +[ 93%] Built target unit_test_DeltaQ_filter +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 93%] Built target unit_test_oscillatorstrength_filter +[ 93%] Built target unit_test_localisation_filter +[ 93%] Built target unit_test_density_filter +[ 93%] Built target unit_test_newton_rapson +[ 93%] Built target unit_test_overlap_filter +[ 93%] Built target unit_test_indexparser +[ 94%] Built target unit_test_orbreorder +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/depend +[ 94%] Built target unit_test_molden +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/depend +[ 94%] Built target unit_test_gaussianwriter +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend -[ 87%] Built target unit_test_sigma_exact -[ 88%] Built target unit_test_sigma_cda -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend -[ 88%] Built target unit_test_sigma_ppm -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend -[ 88%] Built target unit_test_segmentmapper +[ 94%] Built target unit_test_incrementalfockbuilder make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend -[ 89%] Built target unit_test_grid +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" -[ 90%] Built target unit_test_gnode +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend +Consolidate compiler generated dependencies of target unit_test_parallelism +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend -[ 92%] Built target unit_test_threecenter_gwbse -[ 92%] Built target unit_test_davidson -[ 92%] Built target unit_test_eeinteractor cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/DependInfo.cmake "--color=" -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend -[ 92%] Built target unit_test_qmfragment -[ 92%] Built target unit_test_orca -[ 92%] Built target unit_test_dipoledipoleinteraction -[ 92%] Built target unit_test_bsecoupling -[ 92%] Built target unit_test_jobtopology -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_anderson make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +Consolidate compiler generated dependencies of target unit_test_gaussian_quadratures +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend -[ 92%] Built target unit_test_dftengine -[ 92%] Built target unit_test_populationanalysis -make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Built target unit_test_rate_engine -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" -[ 93%] Built target unit_test_localisation_filter -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" -[ 93%] Built target unit_test_DeltaQ_filter -[ 93%] Built target unit_test_hist -[ 93%] Built target unit_test_oscillatorstrength_filter -[ 93%] Built target unit_test_newton_rapson -[ 93%] Built target unit_test_molden -[ 93%] Built target unit_test_indexparser -[ 93%] Built target unit_test_overlap_filter -[ 93%] Built target unit_test_density_filter -[ 94%] Built target unit_test_incrementalfockbuilder -[ 94%] Built target unit_test_orbreorder -[ 96%] Built target unit_test_anderson -[ 96%] Built target unit_test_gaussianwriter -[ 97%] Built target unit_test_parallelism -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/compiler_depend.internal". +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build Dependencies file "xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/compiler_depend.internal". Dependencies file "xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_pmlocalization Dependencies file "xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/compiler_depend.internal". +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' Dependencies file "xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build +Consolidate compiler generated dependencies of target unit_test_activedensitymatrix +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build +Consolidate compiler generated dependencies of target unit_test_activedftengine +Consolidate compiler generated dependencies of target unit_test_truncdftengine +[ 96%] Built target unit_test_parallelism +make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/depend +[ 97%] Built target unit_test_anderson make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_diabatization +Consolidate compiler generated dependencies of target unit_test_transition_densities +make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build'. -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel.dir/DependInfo.cmake "--color=" +[ 97%] Built target unit_test_gaussian_quadratures +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_pmlocalization -Consolidate compiler generated dependencies of target unit_test_gaussian_quadratures -Consolidate compiler generated dependencies of target unit_test_truncdftengine -Consolidate compiler generated dependencies of target unit_test_activedftengine +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build -Consolidate compiler generated dependencies of target unit_test_diabatization +make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/build +[ 97%] Built target unit_test_pmlocalization +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_activedensitymatrix +[ 98%] Built target unit_test_activedftengine +[ 98%] Built target unit_test_truncdftengine +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend +[ 98%] Built target unit_test_diabatization +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend +[ 98%] Built target unit_test_transition_densities +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" +[ 98%] Built target xtp_parallel +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build -Consolidate compiler generated dependencies of target unit_test_activedensitymatrix -make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_transition_densities -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build -[ 97%] Built target xtp_run_manpage -[ 97%] Built target xtp_tools_manpage -[ 97%] Built target xtp_parallel_manpage -[ 98%] Built target xtp_map_manpage -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build'. +[ 98%] Built target csg_boltzmann_manpage make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build'. +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build +[100%] Built target xtp_map_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target xtp_run_manpage +[100%] Built target xtp_tools_manpage +[100%] Built target xtp_parallel_manpage +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_gaussian_quadratures -[ 98%] Built target unit_test_pmlocalization -[ 98%] Built target unit_test_diabatization -[ 98%] Built target unit_test_truncdftengine -[ 98%] Built target unit_test_activedftengine -[100%] Built target unit_test_activedensitymatrix +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build -[100%] Built target unit_test_transition_densities make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' @@ -29132,10 +29168,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' dh_auto_test - cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42 + cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20 make[1]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j42 +/usr/bin/ctest --force-new-ctest-process --verbose -j20 UpdateCTestConfiguration from :/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/DartConfiguration.tcl @@ -29267,138 +29303,6 @@ 95: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample "--in" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_in" "--out" "table_cubicfit" "--type" "cubic" "--grid" "0:1:9" "--fitgrid" "0:2:9" 95: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample 95: Test timeout computed to be: 1500 -test 97 - Start 97: integration_Run_csg_dump - -97: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//topol_cg.xml > csg_dump.out" -97: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump -97: Test timeout computed to be: 1500 -test 99 - Start 99: integration_Run_csg_dump_gro - -99: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro > csg_dump_gro.out" -99: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro -99: Test timeout computed to be: 1500 -test 101 - Start 101: integration_Run_csg_dump_data - -101: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/spce.data > csg_dump_data.out" -101: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data -101: Test timeout computed to be: 1500 -test 115 - Start 115: integration_Run_csg_property - -115: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --short --path cg.inverse.gromacs.DESC > csg_property.out" -115: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -115: Test timeout computed to be: 1500 -test 117 - Start 117: integration_Run_csg_property2 - -117: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --path cg.inverse.gromacs.DESC > csg_property.out2" -117: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -117: Test timeout computed to be: 1500 -test 119 - Start 119: integration_Run_csg_property3 - -119: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B.C --print . > csg_property.out3" -119: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -119: Test timeout computed to be: 1500 -test 121 - Start 121: integration_Run_csg_property4 - -121: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B --print C > csg_property.out4" -121: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -121: Test timeout computed to be: 1500 -test 1 - Start 1: integration_votca_propertyHelp - -1: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/votca_property "--help" -1: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools -1: Test timeout computed to be: 1500 -test 2 - Start 2: unit_test_calculator - -2: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_calculator -2: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -2: Test timeout computed to be: 1500 -test 3 - Start 3: unit_test_constants - -3: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_constants -3: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -3: Test timeout computed to be: 1500 -test 4 - Start 4: unit_test_correlate - -4: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_correlate -4: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -4: Test timeout computed to be: 1500 -test 5 - Start 5: unit_test_crosscorrelate - -5: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_crosscorrelate -5: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -5: Test timeout computed to be: 1500 -test 6 - Start 6: unit_test_cubicspline - -6: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_cubicspline -6: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -6: Test timeout computed to be: 1500 -test 7 - Start 7: unit_test_datacollection - -7: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_datacollection -7: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -7: Test timeout computed to be: 1500 -test 8 - Start 8: unit_test_edge_base - -8: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edge_base -8: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -8: Test timeout computed to be: 1500 -test 9 - Start 9: unit_test_edgecontainer - -9: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edgecontainer -9: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -9: Test timeout computed to be: 1500 -test 10 - Start 10: unit_test_elements - -10: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_elements -10: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -10: Test timeout computed to be: 1500 -test 11 - Start 11: unit_test_filesystem - -11: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_filesystem -11: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -11: Test timeout computed to be: 1500 -test 12 - Start 12: unit_test_floatingpointcomparison - -12: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_floatingpointcomparison -12: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -12: Test timeout computed to be: 1500 -test 13 - Start 13: unit_test_graphalgorithm - -13: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graphalgorithm -13: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -13: Test timeout computed to be: 1500 -test 14 - Start 14: unit_test_graph_base - -14: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_base -14: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -14: Test timeout computed to be: 1500 -test 15 - Start 15: unit_test_graph_bf_visitor - -15: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_bf_visitor -15: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -15: Test timeout computed to be: 1500 103: :-) GROMACS - gmx grompp, 2024.1-Debian_2024.1_1+b1 (double precision) (-: 103: 103: Executable: /usr/bin/gmx_d @@ -29445,9 +29349,9 @@ 55: 55: There were 2 NOTEs 55: -55: GROMACS reminds you: "Chemistry: It tends to be a messy science." (Gunnar von Heijne, former chair of the Nobel Committee for chemistry) +55: GROMACS reminds you: "Expertise is not inherently good." (Joe Jordan) 55: -55: Setting the LD random seed to -1895829510 +55: Setting the LD random seed to 2147479502 55: 55: Generated 1 of the 1 non-bonded parameter combinations 55: @@ -29496,9 +29400,9 @@ 123: 123: There were 3 NOTEs 123: -123: GROMACS reminds you: "Chemistry: It tends to be a messy science." (Gunnar von Heijne, former chair of the Nobel Committee for chemistry) +123: GROMACS reminds you: "Expertise is not inherently good." (Joe Jordan) 123: -123: Setting the LD random seed to -805383057 +123: Setting the LD random seed to -36450575 123: 123: Generated 28 of the 28 non-bonded parameter combinations 123: @@ -29560,9 +29464,9 @@ 126: 126: There were 4 NOTEs 126: -126: GROMACS reminds you: "Chemistry: It tends to be a messy science." (Gunnar von Heijne, former chair of the Nobel Committee for chemistry) +126: GROMACS reminds you: "Expertise is not inherently good." (Joe Jordan) 126: -126: Setting the LD random seed to 485972314 +126: Setting the LD random seed to -2254849 126: 126: Generated 21 of the 21 non-bonded parameter combinations 126: @@ -29570,7 +29474,7 @@ 126: 126: Excluding 3 bonded neighbours molecule type '3-MMA' 126: -126: Setting gen_seed to -604766343 +126: Setting gen_seed to -138675309 126: 126: Velocities were taken from a Maxwell distribution at 600 K 126: Analysing residue names: @@ -29667,16 +29571,12 @@ 69: I have 216 beads in 216 molecules for the coarsegraining 69: Reading frame, timestep 0 69: -69: written CG-CG.dist.new -69: written CG-CG.force.new 72: begin to calculate distribution functions 72: # of bonded interactions: 0 72: # of non-bonded interactions: 1 72: I have 648 beads in 216 molecules 72: I have 216 beads in 216 molecules for the coarsegraining 72: Reading frame, timestep 0 -72: -72: written CG-CG-CG.dist.new 74: begin to calculate inverse monte carlo parameters 74: # of bonded interactions: 0 74: # of non-bonded interactions: 1 @@ -29688,6 +29588,65 @@ 74: written CG-CG.imc 74: written CG-CG.gmc 74: written CG-CG.idx + 1/249 Test #55: integration_Run_gmx_grompp_re ...................... Passed 0.34 sec + 2/249 Test #123: integration_Run_gmx_grompp_ppy ..................... Passed 0.33 sec + 3/249 Test #126: integration_Run_gmx_grompp_mma ..................... Passed 0.31 sec + 4/249 Test #50: integration_Run_csg_reupdate ....................... Passed 0.30 sec + 5/249 Test #52: integration_Run_csg_reupdate2 ...................... Passed 0.28 sec + 6/249 Test #59: integration_Run_csg_fmatch ......................... Passed 0.27 sec + 7/249 Test #65: integration_Run_csg_map ............................ Passed 0.23 sec + 8/249 Test #67: integration_Run_csg_map_gro ........................ Passed 0.22 sec +test 56 + Start 56: integration_Run_csg_reupdate_gmx + +56: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate "--options" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/settings_re.xml" "--top" "topol.tpr" "--trj" "conf.gro" "--hessian-check" "no" +56: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx +56: Test timeout computed to be: 1500 +test 97 + Start 97: integration_Run_csg_dump + +97: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//topol_cg.xml > csg_dump.out" +97: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump +97: Test timeout computed to be: 1500 +test 99 + Start 99: integration_Run_csg_dump_gro + +99: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro > csg_dump_gro.out" +99: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro +99: Test timeout computed to be: 1500 +test 101 + Start 101: integration_Run_csg_dump_data + +101: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/spce.data > csg_dump_data.out" +101: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data +101: Test timeout computed to be: 1500 +test 115 + Start 115: integration_Run_csg_property + +115: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --short --path cg.inverse.gromacs.DESC > csg_property.out" +115: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +115: Test timeout computed to be: 1500 +test 117 + Start 117: integration_Run_csg_property2 + +117: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --path cg.inverse.gromacs.DESC > csg_property.out2" +117: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +117: Test timeout computed to be: 1500 +test 119 + Start 119: integration_Run_csg_property3 + +119: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B.C --print . > csg_property.out3" +119: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +119: Test timeout computed to be: 1500 +test 121 + Start 121: integration_Run_csg_property4 + +121: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B --print C > csg_property.out4" +121: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +121: Test timeout computed to be: 1500 +69: written CG-CG.dist.new +69: written CG-CG.force.new + 9/249 Test #74: integration_Run_csg_stat-imc ....................... Passed 0.31 sec 85: begin to calculate inverse monte carlo parameters 85: # of bonded interactions: 0 85: # of non-bonded interactions: 3 @@ -29699,7 +29658,118 @@ 85: written all.imc 85: written all.gmc 85: written all.idx + 10/249 Test #89: integration_Run_csg_resample_akima ................. Passed 0.24 sec 95: doing cubic fit 0:2:9 +56: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +56: I have 216 beads in 216 molecules +56: We have CG-CG CG potential +56: Between beads CG-CG +56: With Function form cbspl +56: And 4 parameters to optimize +56: Potential range: +56: rmin = 0.26 [nm] +56: rcutoff = 0.3 [nm] +56: Total number of parameters to optimize: 4 +56: Updating parameters +56: ****************** WARNING ***************** +56: Hessian H NOT a positive definite! +56: This can be a result of poor initial guess or ill-suited CG potential settings or poor CG sampling. +56: ******************************************** +56: +56: However, you want to proceed despite non-positive definite H. +56: Non-positive H does not gurantee relative entropy iterations to converge to minimum. +56: You can turn on Hessian check by setting command line option --hessian-check=true. +56: In this case, alternative update option is steepest descent. +56: AA Ensemble Avg Energy :: 0.328298 +56: CG Ensemble Avg Energy :: 5.31427 +56: Writing CG parameters and potential(s) +56: Writing file: CG-CG.pot.new +56: CG-CG potential's extrapolated core is attractive! +56: Artifically enforcing repulsive core. +56: +56: Writing file: CG-CG.param.new +56: CG-CG potential's extrapolated core is attractive! +56: Artifically enforcing repulsive core. +56: +56: Finished RE update! + 11/249 Test #69: integration_Run_csg_stat ........................... Passed 0.35 sec + 12/249 Test #79: integration_Run_csg_imc_solve ...................... Passed 0.29 sec + 13/249 Test #85: integration_Run_csg_stat_imc_multi ................. Passed 0.25 sec + 14/249 Test #91: integration_Run_csg_resample_cubic ................. Passed 0.22 sec + 15/249 Test #93: integration_Run_csg_resample_linear ................ Passed 0.21 sec + 16/249 Test #95: integration_Run_csg_resample_cubicfit .............. Passed 0.19 sec + 17/249 Test #56: integration_Run_csg_reupdate_gmx ................... Passed 0.15 sec + 18/249 Test #97: integration_Run_csg_dump ........................... Passed 0.14 sec +test 124 + Start 124: integration_Run_csg_boltzmann_ppy + +124: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "ppy10.xml" "--excl" "excl.txt" +124: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_ppy +124: Test timeout computed to be: 1500 +test 127 + Start 127: integration_Run_csg_boltzmann_mma + +127: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "mapping.xml" "--excl" "excl.txt" +127: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_mma +127: Test timeout computed to be: 1500 +test 1 + Start 1: integration_votca_propertyHelp + +1: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/votca_property "--help" +1: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools +1: Test timeout computed to be: 1500 +test 2 + Start 2: unit_test_calculator + +2: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_calculator +2: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +2: Test timeout computed to be: 1500 +test 3 + Start 3: unit_test_constants + +3: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_constants +3: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +3: Test timeout computed to be: 1500 +test 4 + Start 4: unit_test_correlate + +4: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_correlate +4: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +4: Test timeout computed to be: 1500 +test 5 + Start 5: unit_test_crosscorrelate + +5: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_crosscorrelate +5: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +5: Test timeout computed to be: 1500 +test 6 + Start 6: unit_test_cubicspline + +6: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_cubicspline +6: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +6: Test timeout computed to be: 1500 +test 7 + Start 7: unit_test_datacollection + +7: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_datacollection +7: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +7: Test timeout computed to be: 1500 +test 8 + Start 8: unit_test_edge_base + +8: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edge_base +8: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +8: Test timeout computed to be: 1500 +72: +72: written CG-CG-CG.dist.new +124: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +124: I have 82 beads in 1 molecules +124: I have 10 beads in 1 molecules for the coarsegraining +124: Writing exclusion list for atomistic molecule Protein in coarse grained representation Protein +127: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +127: I have 53 beads in 1 molecules +127: I have 11 beads in 1 molecules for the coarsegraining +127: Writing exclusion list for atomistic molecule 3-MMA in coarse grained representation 3-MMA 1: ================================================== 1: ======== VOTCA (http://www.votca.org) ======== 1: ================================================== @@ -29745,87 +29815,65 @@ 7: 7: *** No errors detected 7:  -8: Running 8 test cases... -8: Vertices -8: 2 3 -8: -8: -8: *** No errors detected -8:  -9: Running 10 test cases... -9: -9: *** No errors detected -9:  -10: Running 2 test cases... -10: -10: *** No errors detected -10:  -11: Running 3 test cases... -11: -11: *** No errors detected -11:  -12: Running 1 test case... -12: -12: *** No errors detected -12:  -13: Running 5 test cases... -13: is single network 1 -13: EDGE CHECK ************************************** -13: -13: *** No errors detected - 1/249 Test #55: integration_Run_gmx_grompp_re ...................... Passed 0.09 sec - 2/249 Test #123: integration_Run_gmx_grompp_ppy ..................... Passed 0.09 sec - 3/249 Test #126: integration_Run_gmx_grompp_mma ..................... Passed 0.09 sec - 4/249 Test #50: integration_Run_csg_reupdate ....................... Passed 0.09 sec - 5/249 Test #52: integration_Run_csg_reupdate2 ...................... Passed 0.08 sec - 6/249 Test #59: integration_Run_csg_fmatch ......................... Passed 0.08 sec - 7/249 Test #65: integration_Run_csg_map ............................ Passed 0.08 sec - 8/249 Test #67: integration_Run_csg_map_gro ........................ Passed 0.08 sec - 9/249 Test #69: integration_Run_csg_stat ........................... Passed 0.08 sec - 10/249 Test #74: integration_Run_csg_stat-imc ....................... Passed 0.08 sec - 11/249 Test #79: integration_Run_csg_imc_solve ...................... Passed 0.07 sec - 12/249 Test #85: integration_Run_csg_stat_imc_multi ................. Passed 0.07 sec - 13/249 Test #89: integration_Run_csg_resample_akima ................. Passed 0.07 sec - 14/249 Test #91: integration_Run_csg_resample_cubic ................. Passed 0.07 sec - 15/249 Test #93: integration_Run_csg_resample_linear ................ Passed 0.07 sec - 16/249 Test #95: integration_Run_csg_resample_cubicfit .............. Passed 0.07 sec - 17/249 Test #97: integration_Run_csg_dump ........................... Passed 0.06 sec - 18/249 Test #99: integration_Run_csg_dump_gro ....................... Passed 0.06 sec - 19/249 Test #101: integration_Run_csg_dump_data ...................... Passed 0.06 sec - 20/249 Test #115: integration_Run_csg_property ....................... Passed 0.06 sec - 21/249 Test #117: integration_Run_csg_property2 ...................... Passed 0.06 sec - 22/249 Test #119: integration_Run_csg_property3 ...................... Passed 0.05 sec - 23/249 Test #121: integration_Run_csg_property4 ...................... Passed 0.05 sec - 24/249 Test #1: integration_votca_propertyHelp ..................... Passed 0.05 sec - 25/249 Test #2: unit_test_calculator ............................... Passed 0.05 sec - 26/249 Test #3: unit_test_constants ................................ Passed 0.05 sec - 27/249 Test #4: unit_test_correlate ................................ Passed 0.05 sec - 28/249 Test #5: unit_test_crosscorrelate ........................... Passed 0.04 sec - 29/249 Test #6: unit_test_cubicspline .............................. Passed 0.04 sec - 30/249 Test #7: unit_test_datacollection ........................... Passed 0.04 sec - 31/249 Test #8: unit_test_edge_base ................................ Passed 0.04 sec - 32/249 Test #9: unit_test_edgecontainer ............................ Passed 0.03 sec - 33/249 Test #10: unit_test_elements ................................. Passed 0.03 sec - 34/249 Test #11: unit_test_filesystem ............................... Passed 0.03 sec - 35/249 Test #12: unit_test_floatingpointcomparison .................. Passed 0.02 sec -test 56 - Start 56: integration_Run_csg_reupdate_gmx + 19/249 Test #72: integration_Run_csg_stat_angular ................... Passed 0.52 sec + 20/249 Test #81: integration_Run_csg_imc_solve_reg .................. Passed 0.46 sec + 21/249 Test #99: integration_Run_csg_dump_gro ....................... Passed 0.30 sec + 22/249 Test #101: integration_Run_csg_dump_data ...................... Passed 0.28 sec + 23/249 Test #115: integration_Run_csg_property ....................... Passed 0.27 sec + 24/249 Test #117: integration_Run_csg_property2 ...................... Passed 0.24 sec + 25/249 Test #119: integration_Run_csg_property3 ...................... Passed 0.23 sec + 26/249 Test #121: integration_Run_csg_property4 ...................... Passed 0.22 sec + 27/249 Test #124: integration_Run_csg_boltzmann_ppy .................. Passed 0.19 sec + 28/249 Test #127: integration_Run_csg_boltzmann_mma .................. Passed 0.17 sec + 29/249 Test #1: integration_votca_propertyHelp ..................... Passed 0.15 sec + 30/249 Test #2: unit_test_calculator ............................... Passed 0.13 sec + 31/249 Test #3: unit_test_constants ................................ Passed 0.11 sec + 32/249 Test #4: unit_test_correlate ................................ Passed 0.10 sec + 33/249 Test #5: unit_test_crosscorrelate ........................... Passed 0.08 sec + 34/249 Test #6: unit_test_cubicspline .............................. Passed 0.07 sec + 35/249 Test #7: unit_test_datacollection ........................... Passed 0.05 sec +test 9 + Start 9: unit_test_edgecontainer -56: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate "--options" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/settings_re.xml" "--top" "topol.tpr" "--trj" "conf.gro" "--hessian-check" "no" -56: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx -56: Test timeout computed to be: 1500 -test 124 - Start 124: integration_Run_csg_boltzmann_ppy +9: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edgecontainer +9: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +9: Test timeout computed to be: 1500 +test 10 + Start 10: unit_test_elements -124: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "ppy10.xml" "--excl" "excl.txt" -124: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_ppy -124: Test timeout computed to be: 1500 -test 127 - Start 127: integration_Run_csg_boltzmann_mma +10: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_elements +10: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +10: Test timeout computed to be: 1500 +test 11 + Start 11: unit_test_filesystem -127: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "mapping.xml" "--excl" "excl.txt" -127: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_mma -127: Test timeout computed to be: 1500 +11: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_filesystem +11: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +11: Test timeout computed to be: 1500 +test 12 + Start 12: unit_test_floatingpointcomparison + +12: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_floatingpointcomparison +12: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +12: Test timeout computed to be: 1500 +test 13 + Start 13: unit_test_graphalgorithm + +13: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graphalgorithm +13: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +13: Test timeout computed to be: 1500 +test 14 + Start 14: unit_test_graph_base + +14: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_base +14: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +14: Test timeout computed to be: 1500 +test 15 + Start 15: unit_test_graph_bf_visitor + +15: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_bf_visitor +15: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +15: Test timeout computed to be: 1500 test 16 Start 16: unit_test_graph_df_visitor @@ -29886,6 +29934,96 @@ 25: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_optionshandler 25: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 25: Test timeout computed to be: 1500 +8: Running 8 test cases... +8: Vertices +8: 2 3 +8: +8: +8: *** No errors detected +8:  + 36/249 Test #8: unit_test_edge_base ................................ Passed 0.36 sec +9: Running 10 test cases... +9: +9: *** No errors detected +9:  +10: Running 2 test cases... +10: +10: *** No errors detected +10:  +11: Running 3 test cases... +11: +11: *** No errors detected +11:  +12: Running 1 test case... +12: +12: *** No errors detected +12:  +13: Running 5 test cases... +13: is single network 1 +13: EDGE CHECK ************************************** +13: +13: *** No errors detected +13:  +14: Running 8 test cases... +14: +14: *** No errors detected +14:  +15: Running 3 test cases... +15: +15: *** No errors detected +15:  +16: Running 3 test cases... +16: +16: *** No errors detected +16:  +17: Running 3 test cases... +17: +17: *** No errors detected +17:  +18: Running 4 test cases... +18: +18: *** No errors detected +18:  +19: Running 2 test cases... +19: +19: *** No errors detected +19:  +20: Running 6 test cases... +20: +20: *** No errors detected +20:  +21: Running 2 test cases... +21: +21: *** No errors detected +21:  +22: Running 1 test case... +22: +22: *** No errors detected +22:  +23: Running 2 test cases... +23: +23: *** No errors detected +23:  +24: Running 1 test case... +24: +24: *** No errors detected +24:  + 37/249 Test #9: unit_test_edgecontainer ............................ Passed 0.33 sec + 38/249 Test #10: unit_test_elements ................................. Passed 0.31 sec + 39/249 Test #11: unit_test_filesystem ............................... Passed 0.29 sec + 40/249 Test #12: unit_test_floatingpointcomparison .................. Passed 0.28 sec + 41/249 Test #13: unit_test_graphalgorithm ........................... Passed 0.26 sec + 42/249 Test #14: unit_test_graph_base ............................... Passed 0.24 sec + 43/249 Test #15: unit_test_graph_bf_visitor ......................... Passed 0.23 sec + 44/249 Test #16: unit_test_graph_df_visitor ......................... Passed 0.21 sec + 45/249 Test #17: unit_test_graphdistvisitor ......................... Passed 0.19 sec + 46/249 Test #18: unit_test_graphnode ................................ Passed 0.17 sec + 47/249 Test #19: unit_test_graphvisitor ............................. Passed 0.15 sec + 48/249 Test #20: unit_test_histogramnew ............................. Passed 0.13 sec + 49/249 Test #21: unit_test_identity ................................. Passed 0.11 sec + 50/249 Test #22: unit_test_linalg ................................... Passed 0.10 sec + 51/249 Test #23: unit_test_name ..................................... Passed 0.08 sec + 52/249 Test #24: unit_test_objectfactory ............................ Passed 0.05 sec test 26 Start 26: unit_test_property @@ -29988,126 +30126,6 @@ 42: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property "--help" 42: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools 42: Test timeout computed to be: 1500 -test 43 - Start 43: integration_csg_resampleHelp - -43: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample "--help" -43: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools -43: Test timeout computed to be: 1500 -test 44 - Start 44: integration_csg_statHelp - -44: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_stat "--help" -44: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools -44: Test timeout computed to be: 1500 -test 45 - Start 45: integration_csg_fmatchHelp - -45: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_fmatch "--help" -45: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools -45: Test timeout computed to be: 1500 -test 46 - Start 46: integration_csg_gmxtopolHelp - -46: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_gmxtopol "--help" -46: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools -46: Test timeout computed to be: 1500 -test 47 - Start 47: integration_csg_dlptopolHelp - -47: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dlptopol "--help" -47: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools -47: Test timeout computed to be: 1500 -103: Generating 1-4 interactions: fudge = 0.5 - 36/249 Test #72: integration_Run_csg_stat_angular ................... Passed 0.14 sec -13:  - 37/249 Test #13: unit_test_graphalgorithm ........................... Passed 0.08 sec -14: Running 8 test cases... -14: -14: *** No errors detected -14:  - 38/249 Test #14: unit_test_graph_base ............................... Passed 0.08 sec -15: Running 3 test cases... -15: -15: *** No errors detected -15:  - 39/249 Test #15: unit_test_graph_bf_visitor ......................... Passed 0.07 sec -56: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -56: I have 216 beads in 216 molecules -56: We have CG-CG CG potential -56: Between beads CG-CG -56: With Function form cbspl -56: And 4 parameters to optimize -56: Potential range: -56: rmin = 0.26 [nm] -56: rcutoff = 0.3 [nm] -56: Total number of parameters to optimize: 4 -56: Updating parameters -56: ****************** WARNING ***************** -56: Hessian H NOT a positive definite! -56: This can be a result of poor initial guess or ill-suited CG potential settings or poor CG sampling. -56: ******************************************** -56: -56: However, you want to proceed despite non-positive definite H. -56: Non-positive H does not gurantee relative entropy iterations to converge to minimum. -56: You can turn on Hessian check by setting command line option --hessian-check=true. -56: In this case, alternative update option is steepest descent. -56: AA Ensemble Avg Energy :: 0.328298 -56: CG Ensemble Avg Energy :: 5.31427 -56: Writing CG parameters and potential(s) -56: Writing file: CG-CG.pot.new -56: CG-CG potential's extrapolated core is attractive! -56: Artifically enforcing repulsive core. -56: -56: Writing file: CG-CG.param.new -56: CG-CG potential's extrapolated core is attractive! -56: Artifically enforcing repulsive core. -56: -56: Finished RE update! -124: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -124: I have 82 beads in 1 molecules -124: I have 10 beads in 1 molecules for the coarsegraining -124: Writing exclusion list for atomistic molecule Protein in coarse grained representation Protein -127: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -127: I have 53 beads in 1 molecules -127: I have 11 beads in 1 molecules for the coarsegraining -127: Writing exclusion list for atomistic molecule 3-MMA in coarse grained representation 3-MMA -16: Running 3 test cases... -16: -16: *** No errors detected -16:  -17: Running 3 test cases... -17: -17: *** No errors detected -17:  -18: Running 4 test cases... -18: -18: *** No errors detected -18:  -19: Running 2 test cases... -19: -19: *** No errors detected -19:  -20: Running 6 test cases... -20: -20: *** No errors detected -20:  -21: Running 2 test cases... -21: -21: *** No errors detected -21:  -22: Running 1 test case... -22: -22: *** No errors detected -22:  -23: Running 2 test cases... -23: -23: *** No errors detected -23:  -24: Running 1 test case... -24: -24: *** No errors detected -24:  25: Running 6 test cases... 25: 25: *** No errors detected @@ -30172,33 +30190,50 @@ 38: 38: *** No errors detected 38:  - 40/249 Test #81: integration_Run_csg_imc_solve_reg .................. Passed 0.14 sec - 41/249 Test #56: integration_Run_csg_reupdate_gmx ................... Passed 0.06 sec - 42/249 Test #124: integration_Run_csg_boltzmann_ppy .................. Passed 0.06 sec - 43/249 Test #127: integration_Run_csg_boltzmann_mma .................. Passed 0.06 sec - 44/249 Test #16: unit_test_graph_df_visitor ......................... Passed 0.06 sec - 45/249 Test #17: unit_test_graphdistvisitor ......................... Passed 0.06 sec - 46/249 Test #18: unit_test_graphnode ................................ Passed 0.05 sec - 47/249 Test #19: unit_test_graphvisitor ............................. Passed 0.05 sec - 48/249 Test #20: unit_test_histogramnew ............................. Passed 0.05 sec - 49/249 Test #21: unit_test_identity ................................. Passed 0.05 sec - 50/249 Test #22: unit_test_linalg ................................... Passed 0.05 sec - 51/249 Test #23: unit_test_name ..................................... Passed 0.05 sec - 52/249 Test #24: unit_test_objectfactory ............................ Passed 0.05 sec - 53/249 Test #25: unit_test_optionshandler ........................... Passed 0.04 sec - 54/249 Test #26: unit_test_property ................................. Passed 0.04 sec - 55/249 Test #27: unit_test_reducededge .............................. Passed 0.04 sec - 56/249 Test #28: unit_test_reducedgraph ............................. Passed 0.04 sec - 57/249 Test #29: unit_test_structureparameters ...................... Passed 0.04 sec - 58/249 Test #30: unit_test_table .................................... Passed 0.04 sec - 59/249 Test #31: unit_test_thread ................................... Passed 0.03 sec - 60/249 Test #32: unit_test_tokenizer ................................ Passed 0.03 sec - 61/249 Test #33: unit_test_random ................................... Passed 0.03 sec - 62/249 Test #34: unit_test_akimaspline .............................. Passed 0.03 sec - 63/249 Test #35: unit_test_linspline ................................ Passed 0.03 sec - 64/249 Test #36: unit_test_unitconverter ............................ Passed 0.03 sec - 65/249 Test #37: unit_test_NDimVector ............................... Passed 0.02 sec - 66/249 Test #38: unit_test_eigenio_matrixmarket ..................... Passed 0.02 sec + 53/249 Test #25: unit_test_optionshandler ........................... Passed 0.35 sec + 54/249 Test #26: unit_test_property ................................. Passed 0.32 sec + 55/249 Test #27: unit_test_reducededge .............................. Passed 0.30 sec + 56/249 Test #28: unit_test_reducedgraph ............................. Passed 0.28 sec + 57/249 Test #29: unit_test_structureparameters ...................... Passed 0.27 sec + 58/249 Test #30: unit_test_table .................................... Passed 0.25 sec + 59/249 Test #31: unit_test_thread ................................... Passed 0.23 sec + 60/249 Test #32: unit_test_tokenizer ................................ Passed 0.21 sec + 61/249 Test #33: unit_test_random ................................... Passed 0.19 sec + 62/249 Test #34: unit_test_akimaspline .............................. Passed 0.18 sec + 63/249 Test #35: unit_test_linspline ................................ Passed 0.16 sec + 64/249 Test #36: unit_test_unitconverter ............................ Passed 0.14 sec + 65/249 Test #37: unit_test_NDimVector ............................... Passed 0.12 sec + 66/249 Test #38: unit_test_eigenio_matrixmarket ..................... Passed 0.10 sec +test 43 + Start 43: integration_csg_resampleHelp + +43: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample "--help" +43: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools +43: Test timeout computed to be: 1500 +test 44 + Start 44: integration_csg_statHelp + +44: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_stat "--help" +44: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools +44: Test timeout computed to be: 1500 +test 45 + Start 45: integration_csg_fmatchHelp + +45: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_fmatch "--help" +45: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools +45: Test timeout computed to be: 1500 +test 46 + Start 46: integration_csg_gmxtopolHelp + +46: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_gmxtopol "--help" +46: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools +46: Test timeout computed to be: 1500 +test 47 + Start 47: integration_csg_dlptopolHelp + +47: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dlptopol "--help" +47: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools +47: Test timeout computed to be: 1500 test 48 Start 48: integration_csg_densityHelp @@ -30253,168 +30288,49 @@ 66: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "frame.dump" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/frame.dump" 66: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map 66: Test timeout computed to be: 1500 -test 68 - Start 68: integration_Compare_csg_map_gro_output - -68: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "conf_cg.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro" -68: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map_gro -68: Test timeout computed to be: 1500 -test 70 - Start 70: integration_Compare_csg_stat_output1 - -70: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf" -70: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat -70: Test timeout computed to be: 1500 -test 71 - Start 71: integration_Compare_csg_stat_output2 - -71: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf" -71: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat -71: Test timeout computed to be: 1500 -test 73 - Start 73: integration_Compare_csg_stat_angular_output - -73: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular" -73: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_angular -73: Test timeout computed to be: 1500 -test 75 - Start 75: integration_Compare_csg_stat-imc_output - -75: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc" -75: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -75: Test timeout computed to be: 1500 -test 76 - Start 76: integration_Compare_csg_stat-imc_output_2 - -76: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc" -76: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -76: Test timeout computed to be: 1500 -test 77 - Start 77: integration_Compare_csg_stat-imc_output_3 - -77: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc" -77: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -77: Test timeout computed to be: 1500 -test 78 - Start 78: integration_Compare_csg_stat-imc_output_4 - -78: Test command: /usr/bin/cmake "-E" "compare_files" "CG-CG.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.idx" -78: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -78: Test timeout computed to be: 1500 -test 80 - Start 80: integration_Compare_csg_imc_solve_output - -80: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc" -80: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve -80: Test timeout computed to be: 1500 -test 82 - Start 82: integration_Compare_csg_imc_solve_reg_output_2 - -82: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ1.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc" -82: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg -82: Test timeout computed to be: 1500 -test 83 - Start 83: integration_Compare_csg_imc_solve_reg_output_3 - -83: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc" -83: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg -83: Test timeout computed to be: 1500 -test 84 - Start 84: integration_Compare_csg_imc_solve_reg_output_4 - -84: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ2-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc" -84: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg -84: Test timeout computed to be: 1500 -test 86 - Start 86: integration_Compare_csg_stat-imc_multi_output - -86: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc" -86: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi -86: Test timeout computed to be: 1500 -test 87 - Start 87: integration_Compare_csg_stat-imc_multi_output_2 - -87: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc" -87: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi -87: Test timeout computed to be: 1500 -test 88 - Start 88: integration_Compare_csg_stat-imc_multi_output_3 - -88: Test command: /usr/bin/cmake "-E" "compare_files" "all.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.idx" -88: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi -88: Test timeout computed to be: 1500 -test 90 - Start 90: integration_Compare_csg_resample_akima_output - -90: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_akima" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima" -90: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -90: Test timeout computed to be: 1500 -test 92 - Start 92: integration_Compare_csg_resample_cubic_output - -92: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubic" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic" -92: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -92: Test timeout computed to be: 1500 -test 94 - Start 94: integration_Compare_csg_resample_linear_output - -94: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_linear" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear" -94: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -94: Test timeout computed to be: 1500 -test 96 - Start 96: integration_Compare_csg_resample_cubicfit_output - -96: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubicfit" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit" -96: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -96: Test timeout computed to be: 1500 -test 98 - Start 98: integration_Compare_csg_dump_output - -98: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//csg_dump.out" -98: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump -98: Test timeout computed to be: 1500 -test 100 - Start 100: integration_Compare_csg_dump_gro_output - -100: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_gro.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_gro.out" -100: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro -100: Test timeout computed to be: 1500 -test 102 - Start 102: integration_Compare_csg_dump_data_output - -102: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_data.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/csg_dump_data.out" -102: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data -102: Test timeout computed to be: 1500 -41: ================================================== -41: ======== VOTCA (http://www.votca.org) ======== -41: ================================================== -41: -41: please submit bugs to https://github.com/votca/votca/issues -41: -41: csg_dump, version 2024 (compiled Feb 29 2024, 03:52:32) -41: gromacs, 2024.1-Debian_2024.1_1+b1 (double precision) -41: -41: Print atoms that are read from topology file to help debugging atom naming. -41: -41: -41: Allowed options: -41: -h [ --help ] display this help and exit -41: --verbose be loud and noisy -41: --verbose1 be very loud and noisy -41: -v [ --verbose2 ] be extremly loud and noisy -41: --top arg atomistic topology file -41: -41: Mapping options: -41: --cg arg [OPTIONAL] coarse graining mapping and bond -41: definitions -41: (xml-file). If no file is given, program acts on -41: original trajectory -41: --map-ignore arg list of molecules to ignore if mapping is done -41: separated by ; -41: -41: Specific options: -41: --excl display exclusion list instead of molecule list -41: +39: ================================================== +39: ======== VOTCA (http://www.votca.org) ======== +39: ================================================== +39: +39: please submit bugs to https://github.com/votca/votca/issues +39: +39: csg_reupdate, version 2024 (compiled Feb 29 2024, 03:52:32) +39: gromacs, 2024.1-Debian_2024.1_1+b1 (double precision) +39: +39: computes relative entropy update. +39: +39: +39: Allowed options: +39: -h [ --help ] display this help and exit +39: --verbose be loud and noisy +39: --verbose1 be very loud and noisy +39: -v [ --verbose2 ] be extremly loud and noisy +39: --top arg atomistic topology file (only needed for +39: RE update) +39: +39: RE Specific options: +39: --options arg options file for coarse graining +39: --gentable arg (=0) only generate potential tables from given +39: parameters, NO RE update! +39: --interaction arg [OPTIONAL] generate potential tables only +39: for the specified interactions, +39: only valid when 'gentable' is true +39: --param-in-ext arg (=param.cur) Extension of the input parameter tables +39: --param-out-ext arg (=param.new) Extension of the output parameter tables +39: --pot-out-ext arg (=pot.new) Extension of the output potential tables +39: --hessian-check arg (=1) Disable the hessian check (mostly for +39: testing) +39: +39: Threading options: +39: --nt arg (=1) number of threads +39: +39: Trajectory options: +39: --trj arg atomistic trajectory file +39: --begin arg (=0) skip frames before this time (only works +39: for Gromacs files) +39: --first-frame arg (=0) start with this frame +39: --nframes arg process the given number of frames +39: 40: ================================================== 40: ======== VOTCA (http://www.votca.org) ======== 40: ================================================== @@ -30461,49 +30377,36 @@ 40: --first-frame arg (=0) start with this frame 40: --nframes arg process the given number of frames 40: -39: ================================================== -39: ======== VOTCA (http://www.votca.org) ======== -39: ================================================== -39: -39: please submit bugs to https://github.com/votca/votca/issues -39: -39: csg_reupdate, version 2024 (compiled Feb 29 2024, 03:52:32) -39: gromacs, 2024.1-Debian_2024.1_1+b1 (double precision) -39: -39: computes relative entropy update. -39: -39: -39: Allowed options: -39: -h [ --help ] display this help and exit -39: --verbose be loud and noisy -39: --verbose1 be very loud and noisy -39: -v [ --verbose2 ] be extremly loud and noisy -39: --top arg atomistic topology file (only needed for -39: RE update) -39: -39: RE Specific options: -39: --options arg options file for coarse graining -39: --gentable arg (=0) only generate potential tables from given -39: parameters, NO RE update! -39: --interaction arg [OPTIONAL] generate potential tables only -39: for the specified interactions, -39: only valid when 'gentable' is true -39: --param-in-ext arg (=param.cur) Extension of the input parameter tables -39: --param-out-ext arg (=param.new) Extension of the output parameter tables -39: --pot-out-ext arg (=pot.new) Extension of the output potential tables -39: --hessian-check arg (=1) Disable the hessian check (mostly for -39: testing) -39: -39: Threading options: -39: --nt arg (=1) number of threads -39: -39: Trajectory options: -39: --trj arg atomistic trajectory file -39: --begin arg (=0) skip frames before this time (only works -39: for Gromacs files) -39: --first-frame arg (=0) start with this frame -39: --nframes arg process the given number of frames -39: +41: ================================================== +41: ======== VOTCA (http://www.votca.org) ======== +41: ================================================== +41: +41: please submit bugs to https://github.com/votca/votca/issues +41: +41: csg_dump, version 2024 (compiled Feb 29 2024, 03:52:32) +41: gromacs, 2024.1-Debian_2024.1_1+b1 (double precision) +41: +41: Print atoms that are read from topology file to help debugging atom naming. +41: +41: +41: Allowed options: +41: -h [ --help ] display this help and exit +41: --verbose be loud and noisy +41: --verbose1 be very loud and noisy +41: -v [ --verbose2 ] be extremly loud and noisy +41: --top arg atomistic topology file +41: +41: Mapping options: +41: --cg arg [OPTIONAL] coarse graining mapping and bond +41: definitions +41: (xml-file). If no file is given, program acts on +41: original trajectory +41: --map-ignore arg list of molecules to ignore if mapping is done +41: separated by ; +41: +41: Specific options: +41: --excl display exclusion list instead of molecule list +41: 42: ================================================== 42: ======== VOTCA (http://www.votca.org) ======== 42: ================================================== @@ -30604,34 +30507,6 @@ 44: --first-frame arg (=0) start with this frame 44: --nframes arg process the given number of frames 44: -46: ================================================== -46: ======== VOTCA (http://www.votca.org) ======== -46: ================================================== -46: -46: please submit bugs to https://github.com/votca/votca/issues -46: -46: csg_gmxtopol, version 2024 (compiled Feb 29 2024, 03:52:32) -46: gromacs, 2024.1-Debian_2024.1_1+b1 (double precision) -46: -46: Create skeleton for gromacs topology based on atomistic topology -46: and a mapping file. File still needs to be modified by the user. -46: -46: -46: Allowed options: -46: -h [ --help ] display this help and exit -46: --verbose be loud and noisy -46: --verbose1 be very loud and noisy -46: -v [ --verbose2 ] be extremly loud and noisy -46: --top arg atomistic topology file -46: --out arg output topology (will create .top and in future also -46: .itp) -46: -46: Mapping options: -46: --cg arg coarse graining mapping and bond definitions -46: (xml-file) -46: --map-ignore arg list of molecules to ignore separated by ; -46: --no-map disable mapping and act on original trajectory -46: 45: ================================================== 45: ======== VOTCA (http://www.votca.org) ======== 45: ================================================== @@ -30667,6 +30542,34 @@ 45: --first-frame arg (=0) start with this frame 45: --nframes arg process the given number of frames 45: +46: ================================================== +46: ======== VOTCA (http://www.votca.org) ======== +46: ================================================== +46: +46: please submit bugs to https://github.com/votca/votca/issues +46: +46: csg_gmxtopol, version 2024 (compiled Feb 29 2024, 03:52:32) +46: gromacs, 2024.1-Debian_2024.1_1+b1 (double precision) +46: +46: Create skeleton for gromacs topology based on atomistic topology +46: and a mapping file. File still needs to be modified by the user. +46: +46: +46: Allowed options: +46: -h [ --help ] display this help and exit +46: --verbose be loud and noisy +46: --verbose1 be very loud and noisy +46: -v [ --verbose2 ] be extremly loud and noisy +46: --top arg atomistic topology file +46: --out arg output topology (will create .top and in future also +46: .itp) +46: +46: Mapping options: +46: --cg arg coarse graining mapping and bond definitions +46: (xml-file) +46: --map-ignore arg list of molecules to ignore separated by ; +46: --no-map disable mapping and act on original trajectory +46: 47: ================================================== 47: ======== VOTCA (http://www.votca.org) ======== 47: ================================================== @@ -30771,34 +30674,186 @@ 49: -g [ --gmcfile ] arg gmc statefile 49: -n [ --idxfile ] arg idx statefile 49: + 67/249 Test #39: integration_csg_reupdateHelp ....................... Passed 0.35 sec + 68/249 Test #40: integration_csg_mapHelp ............................ Passed 0.34 sec + 69/249 Test #41: integration_csg_dumpHelp ........................... Passed 0.32 sec + 70/249 Test #42: integration_csg_propertyHelp ....................... Passed 0.30 sec + 71/249 Test #43: integration_csg_resampleHelp ....................... Passed 0.27 sec + 72/249 Test #44: integration_csg_statHelp ........................... Passed 0.25 sec + 73/249 Test #45: integration_csg_fmatchHelp ......................... Passed 0.24 sec + 74/249 Test #46: integration_csg_gmxtopolHelp ....................... Passed 0.22 sec + 75/249 Test #47: integration_csg_dlptopolHelp ....................... Passed 0.20 sec + 76/249 Test #48: integration_csg_densityHelp ........................ Passed 0.19 sec + 77/249 Test #49: integration_csg_imc_solveHelp ...................... Passed 0.17 sec +test 68 + Start 68: integration_Compare_csg_map_gro_output + +68: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "conf_cg.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro" +68: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map_gro +68: Test timeout computed to be: 1500 +test 70 + Start 70: integration_Compare_csg_stat_output1 + +70: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf" +70: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat +70: Test timeout computed to be: 1500 +test 71 + Start 71: integration_Compare_csg_stat_output2 + +71: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf" +71: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat +71: Test timeout computed to be: 1500 +test 73 + Start 73: integration_Compare_csg_stat_angular_output + +73: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular" +73: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_angular +73: Test timeout computed to be: 1500 +test 75 + Start 75: integration_Compare_csg_stat-imc_output + +75: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc" +75: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +75: Test timeout computed to be: 1500 +test 76 + Start 76: integration_Compare_csg_stat-imc_output_2 + +76: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc" +76: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +76: Test timeout computed to be: 1500 +test 77 + Start 77: integration_Compare_csg_stat-imc_output_3 + +77: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc" +77: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +77: Test timeout computed to be: 1500 +test 78 + Start 78: integration_Compare_csg_stat-imc_output_4 + +78: Test command: /usr/bin/cmake "-E" "compare_files" "CG-CG.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.idx" +78: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +78: Test timeout computed to be: 1500 +test 80 + Start 80: integration_Compare_csg_imc_solve_output + +80: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc" +80: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve +80: Test timeout computed to be: 1500 +test 82 + Start 82: integration_Compare_csg_imc_solve_reg_output_2 + +82: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ1.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc" +82: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg +82: Test timeout computed to be: 1500 +test 83 + Start 83: integration_Compare_csg_imc_solve_reg_output_3 + +83: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc" +83: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg +83: Test timeout computed to be: 1500 51: Comparing CG-CG.pot.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.re to a tolerance of 5e-05 53: Comparing CG-CG.pot.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.new.re to a tolerance of 5e-05 54: Comparing CG-CG.param.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re to a tolerance of 5e-05 +60: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch to a tolerance of 5e-05 57: Comparing CG-CG.pot.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.new.re_gmx to a tolerance of 5e-05 58: Comparing CG-CG.param.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re_gmx to a tolerance of 5e-05 -60: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch to a tolerance of 5e-05 +103: Generating 1-4 interactions: fudge = 0.5 +66: Comparing frame.dump and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/frame.dump to a tolerance of 5e-05 68: Comparing conf_cg.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro to a tolerance of 5e-05 +70: Comparing CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf to a tolerance of 5e-05 +71: Comparing CG-CG.force.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf to a tolerance of 5e-05 + 78/249 Test #51: integration_Compare_csg_reupdate_output ............ Passed 0.36 sec + 79/249 Test #53: integration_Compare_csg_reupdate_output2 ........... Passed 0.34 sec + 80/249 Test #54: integration_Compare_csg_reupdate_output3 ........... Passed 0.33 sec + 81/249 Test #57: integration_Compare_csg_reupdate_gmx_output ........ Passed 0.31 sec + 82/249 Test #58: integration_Compare_csg_reupdate_gmx_output2 ....... Passed 0.30 sec + 83/249 Test #60: integration_Compare_csg_fmatch_output .............. Passed 0.28 sec + 84/249 Test #66: integration_Compare_csg_map_output ................. Passed 0.27 sec + 85/249 Test #68: integration_Compare_csg_map_gro_output ............. Passed 0.21 sec + 86/249 Test #78: integration_Compare_csg_stat-imc_output_4 .......... Passed 0.08 sec +test 84 + Start 84: integration_Compare_csg_imc_solve_reg_output_4 + +84: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ2-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc" +84: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg +84: Test timeout computed to be: 1500 +test 86 + Start 86: integration_Compare_csg_stat-imc_multi_output + +86: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc" +86: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi +86: Test timeout computed to be: 1500 +test 87 + Start 87: integration_Compare_csg_stat-imc_multi_output_2 + +87: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc" +87: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi +87: Test timeout computed to be: 1500 +test 88 + Start 88: integration_Compare_csg_stat-imc_multi_output_3 + +88: Test command: /usr/bin/cmake "-E" "compare_files" "all.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.idx" +88: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi +88: Test timeout computed to be: 1500 +test 90 + Start 90: integration_Compare_csg_resample_akima_output + +90: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_akima" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima" +90: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +90: Test timeout computed to be: 1500 +test 92 + Start 92: integration_Compare_csg_resample_cubic_output + +92: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubic" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic" +92: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +92: Test timeout computed to be: 1500 +test 94 + Start 94: integration_Compare_csg_resample_linear_output + +94: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_linear" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear" +94: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +94: Test timeout computed to be: 1500 +test 96 + Start 96: integration_Compare_csg_resample_cubicfit_output + +96: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubicfit" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit" +96: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +96: Test timeout computed to be: 1500 +test 98 + Start 98: integration_Compare_csg_dump_output + +98: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//csg_dump.out" +98: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump +98: Test timeout computed to be: 1500 + 87/249 Test #70: integration_Compare_csg_stat_output1 ............... Passed 0.34 sec + 88/249 Test #71: integration_Compare_csg_stat_output2 ............... Passed 0.32 sec +73: Comparing CG-CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular to a tolerance of 5e-05 +75: Comparing CG-CG.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc to a tolerance of 5e-05 76: Comparing CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc to a tolerance of 5e-05 77: Comparing CG-CG.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc to a tolerance of 5e-05 - 67/249 Test #39: integration_csg_reupdateHelp ....................... Passed 0.09 sec - 68/249 Test #40: integration_csg_mapHelp ............................ Passed 0.09 sec - 69/249 Test #41: integration_csg_dumpHelp ........................... Passed 0.09 sec - 70/249 Test #42: integration_csg_propertyHelp ....................... Passed 0.09 sec - 71/249 Test #43: integration_csg_resampleHelp ....................... Passed 0.08 sec - 72/249 Test #44: integration_csg_statHelp ........................... Passed 0.08 sec - 73/249 Test #45: integration_csg_fmatchHelp ......................... Passed 0.08 sec - 74/249 Test #46: integration_csg_gmxtopolHelp ....................... Passed 0.08 sec - 75/249 Test #47: integration_csg_dlptopolHelp ....................... Passed 0.08 sec - 76/249 Test #48: integration_csg_densityHelp ........................ Passed 0.07 sec - 77/249 Test #49: integration_csg_imc_solveHelp ...................... Passed 0.07 sec - 78/249 Test #51: integration_Compare_csg_reupdate_output ............ Passed 0.07 sec - 79/249 Test #53: integration_Compare_csg_reupdate_output2 ........... Passed 0.07 sec - 80/249 Test #54: integration_Compare_csg_reupdate_output3 ........... Passed 0.06 sec - 81/249 Test #57: integration_Compare_csg_reupdate_gmx_output ........ Passed 0.06 sec - 82/249 Test #58: integration_Compare_csg_reupdate_gmx_output2 ....... Passed 0.06 sec - 83/249 Test #60: integration_Compare_csg_fmatch_output .............. Passed 0.06 sec - 84/249 Test #78: integration_Compare_csg_stat-imc_output_4 .......... Passed 0.04 sec - 85/249 Test #88: integration_Compare_csg_stat-imc_multi_output_3 .... Passed 0.03 sec +83: Comparing LJ1-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc to a tolerance of 5e-05 +80: Comparing CG-CG.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc to a tolerance of 5e-05 +82: Comparing LJ1-LJ1.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc to a tolerance of 5e-05 +84: Comparing LJ2-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc to a tolerance of 5e-05 + 89/249 Test #73: integration_Compare_csg_stat_angular_output ........ Passed 0.30 sec + 90/249 Test #75: integration_Compare_csg_stat-imc_output ............ Passed 0.28 sec + 91/249 Test #76: integration_Compare_csg_stat-imc_output_2 .......... Passed 0.27 sec + 92/249 Test #77: integration_Compare_csg_stat-imc_output_3 .......... Passed 0.25 sec + 93/249 Test #80: integration_Compare_csg_imc_solve_output ........... Passed 0.22 sec + 94/249 Test #83: integration_Compare_csg_imc_solve_reg_output_3 ..... Passed 0.18 sec + 95/249 Test #88: integration_Compare_csg_stat-imc_multi_output_3 .... Passed 0.11 sec +test 100 + Start 100: integration_Compare_csg_dump_gro_output + +100: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_gro.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_gro.out" +100: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro +100: Test timeout computed to be: 1500 +test 102 + Start 102: integration_Compare_csg_dump_data_output + +102: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_data.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/csg_dump_data.out" +102: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data +102: Test timeout computed to be: 1500 test 116 Start 116: integration_Compare_csg_property_output @@ -30841,6 +30896,26 @@ 129: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/fluctuations/csg_fluctuations "--help" 129: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps 129: Test timeout computed to be: 1500 +86: Comparing all.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc to a tolerance of 5e-05 +90: Comparing table_akima and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima to a tolerance of 5e-05 +92: Comparing table_cubic and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic to a tolerance of 5e-05 +96: Comparing table_cubicfit and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit to a tolerance of 5e-05 +94: Comparing table_linear and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear to a tolerance of 5e-05 + 96/249 Test #82: integration_Compare_csg_imc_solve_reg_output_2 ..... Passed 0.38 sec + 97/249 Test #84: integration_Compare_csg_imc_solve_reg_output_4 ..... Passed 0.34 sec + 98/249 Test #86: integration_Compare_csg_stat-imc_multi_output ...... Passed 0.32 sec + 99/249 Test #90: integration_Compare_csg_resample_akima_output ...... Passed 0.27 sec +100/249 Test #92: integration_Compare_csg_resample_cubic_output ...... Passed 0.25 sec +101/249 Test #94: integration_Compare_csg_resample_linear_output ..... Passed 0.24 sec +102/249 Test #96: integration_Compare_csg_resample_cubicfit_output ... Passed 0.22 sec +103/249 Test #98: integration_Compare_csg_dump_output ................ Passed 0.20 sec +104/249 Test #100: integration_Compare_csg_dump_gro_output ............ Passed 0.18 sec +105/249 Test #102: integration_Compare_csg_dump_data_output ........... Passed 0.16 sec +106/249 Test #116: integration_Compare_csg_property_output ............ Passed 0.14 sec +107/249 Test #118: integration_Compare_csg_property_output2 ........... Passed 0.13 sec +108/249 Test #120: integration_Compare_csg_property_output3 ........... Passed 0.11 sec +109/249 Test #122: integration_Compare_csg_property_output4 ........... Passed 0.09 sec +110/249 Test #125: Compare_csg_boltzmann_output_ppy ................... Passed 0.07 sec test 130 Start 130: orientcorrHelp @@ -30913,26 +30988,25 @@ 141: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadmotif_connector 141: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests 141: Test timeout computed to be: 1500 - 86/249 Test #68: integration_Compare_csg_map_gro_output ............. Passed 0.10 sec - 87/249 Test #76: integration_Compare_csg_stat-imc_output_2 .......... Passed 0.09 sec - 88/249 Test #77: integration_Compare_csg_stat-imc_output_3 .......... Passed 0.09 sec -73: Comparing CG-CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular to a tolerance of 5e-05 - 89/249 Test #73: integration_Compare_csg_stat_angular_output ........ Passed 0.09 sec -71: Comparing CG-CG.force.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf to a tolerance of 5e-05 - 90/249 Test #71: integration_Compare_csg_stat_output2 ............... Passed 0.10 sec -70: Comparing CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf to a tolerance of 5e-05 - 91/249 Test #70: integration_Compare_csg_stat_output1 ............... Passed 0.10 sec -66: Comparing frame.dump and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/frame.dump to a tolerance of 5e-05 -75: Comparing CG-CG.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc to a tolerance of 5e-05 -83: Comparing LJ1-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc to a tolerance of 5e-05 -92: Comparing table_cubic and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic to a tolerance of 5e-05 -84: Comparing LJ2-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc to a tolerance of 5e-05 -82: Comparing LJ1-LJ1.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc to a tolerance of 5e-05 -80: Comparing CG-CG.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc to a tolerance of 5e-05 -96: Comparing table_cubicfit and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit to a tolerance of 5e-05 -86: Comparing all.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc to a tolerance of 5e-05 -90: Comparing table_akima and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima to a tolerance of 5e-05 -94: Comparing table_linear and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear to a tolerance of 5e-05 +test 142 + Start 142: unit_test_beadstructure_base + +142: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_base +142: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +142: Test timeout computed to be: 1500 +test 143 + Start 143: unit_test_beadstructure_algorithms + +143: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_algorithms +143: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +143: Test timeout computed to be: 1500 +test 144 + Start 144: unit_test_bondedstatistics + +144: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_bondedstatistics +144: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +144: Test timeout computed to be: 1500 +111/249 Test #128: Compare_csg_boltzmann_output_mma ................... Passed 0.32 sec 129: ================================================== 129: ======== VOTCA (http://www.votca.org) ======== 129: ================================================== @@ -30977,6 +31051,7 @@ 129: --first-frame arg (=0) start with this frame 129: --nframes arg process the given number of frames 129: +87: Comparing all.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc to a tolerance of 5e-05 130: ================================================== 130: ======== VOTCA (http://www.votca.org) ======== 130: ================================================== @@ -31092,204 +31167,6 @@ 132: --first-frame arg (=0) start with this frame 132: --nframes arg process the given number of frames 132: - 92/249 Test #66: integration_Compare_csg_map_output ................. Passed 0.10 sec - 93/249 Test #75: integration_Compare_csg_stat-imc_output ............ Passed 0.09 sec - 94/249 Test #80: integration_Compare_csg_imc_solve_output ........... Passed 0.09 sec - 95/249 Test #82: integration_Compare_csg_imc_solve_reg_output_2 ..... Passed 0.08 sec - 96/249 Test #83: integration_Compare_csg_imc_solve_reg_output_3 ..... Passed 0.08 sec - 97/249 Test #84: integration_Compare_csg_imc_solve_reg_output_4 ..... Passed 0.08 sec - 98/249 Test #86: integration_Compare_csg_stat-imc_multi_output ...... Passed 0.08 sec - 99/249 Test #90: integration_Compare_csg_resample_akima_output ...... Passed 0.07 sec -100/249 Test #92: integration_Compare_csg_resample_cubic_output ...... Passed 0.07 sec -101/249 Test #94: integration_Compare_csg_resample_linear_output ..... Passed 0.07 sec -102/249 Test #96: integration_Compare_csg_resample_cubicfit_output ... Passed 0.06 sec -103/249 Test #98: integration_Compare_csg_dump_output ................ Passed 0.06 sec -104/249 Test #100: integration_Compare_csg_dump_gro_output ............ Passed 0.06 sec -105/249 Test #102: integration_Compare_csg_dump_data_output ........... Passed 0.06 sec -106/249 Test #116: integration_Compare_csg_property_output ............ Passed 0.04 sec -107/249 Test #118: integration_Compare_csg_property_output2 ........... Passed 0.04 sec -108/249 Test #120: integration_Compare_csg_property_output3 ........... Passed 0.04 sec -109/249 Test #122: integration_Compare_csg_property_output4 ........... Passed 0.04 sec -110/249 Test #125: Compare_csg_boltzmann_output_ppy ................... Passed 0.04 sec -111/249 Test #128: Compare_csg_boltzmann_output_mma ................... Passed 0.03 sec -112/249 Test #129: fluctuationsHelp ................................... Passed 0.03 sec -113/249 Test #130: orientcorrHelp ..................................... Passed 0.03 sec -114/249 Test #131: part_distHelp ...................................... Passed 0.03 sec -test 142 - Start 142: unit_test_beadstructure_base - -142: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_base -142: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -142: Test timeout computed to be: 1500 -test 143 - Start 143: unit_test_beadstructure_algorithms - -143: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_algorithms -143: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -143: Test timeout computed to be: 1500 -test 144 - Start 144: unit_test_bondedstatistics - -144: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_bondedstatistics -144: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -144: Test timeout computed to be: 1500 -test 145 - Start 145: unit_test_csg_topology - -145: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_csg_topology -145: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -145: Test timeout computed to be: 1500 -test 146 - Start 146: unit_test_interaction - -146: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_interaction -146: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -146: Test timeout computed to be: 1500 -test 147 - Start 147: unit_test_lammpsdatareader - -147: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdatareader -147: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -147: Test timeout computed to be: 1500 -test 148 - Start 148: unit_test_lammpsdumpreaderwriter - -148: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdumpreaderwriter -148: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -148: Test timeout computed to be: 1500 -test 149 - Start 149: unit_test_nblist_3body - -149: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblist_3body -149: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -149: Test timeout computed to be: 1500 -test 150 - Start 150: unit_test_nblistgrid_3body - -150: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblistgrid_3body -150: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -150: Test timeout computed to be: 1500 -test 151 - Start 151: unit_test_boundarycondition - -151: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_boundarycondition -151: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -151: Test timeout computed to be: 1500 -test 152 - Start 152: unit_test_pdbreader - -152: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_pdbreader -152: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -152: Test timeout computed to be: 1500 -test 153 - Start 153: unit_test_tabulatedpotential - -153: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_tabulatedpotential -153: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -153: Test timeout computed to be: 1500 -test 154 - Start 154: unit_test_triplelist - -154: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_triplelist -154: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -154: Test timeout computed to be: 1500 -test 155 - Start 155: unit_iie.py - -155: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/iie.py" -155: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse -155: Test timeout computed to be: 1500 -test 156 - Start 156: unit_check_csg_xml.py - -156: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/check_csg_xml.py" -156: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse -156: Test timeout computed to be: 1500 -test 157 - Start 157: template_serialHelp - -157: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_serial "--help" -157: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template -157: Test timeout computed to be: 1500 -test 158 - Start 158: template_threadedHelp - -158: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_threaded "--help" -158: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template -158: Test timeout computed to be: 1500 -test 159 - Start 159: integration_xtp_mapHelp - -159: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_map "--help" -159: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -159: Test timeout computed to be: 1500 -test 160 - Start 160: integration_xtp_runHelp - -160: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_run "--help" -160: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -160: Test timeout computed to be: 1500 -test 161 - Start 161: integration_xtp_toolsHelp - -161: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_tools "--help" -161: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -161: Test timeout computed to be: 1500 -test 162 - Start 162: integration_xtp_parallelHelp - -162: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_parallel "--help" -162: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -162: Test timeout computed to be: 1500 -test 163 - Start 163: unit_test_adiis - -163: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_adiis -163: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_adiis -163: Test timeout computed to be: 1500 -test 164 - Start 164: unit_test_aobasis - -164: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aobasis -164: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aobasis -164: Test timeout computed to be: 1500 -test 165 - Start 165: unit_test_aomatrix - -165: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix -165: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix -165: Test timeout computed to be: 1500 -test 166 - Start 166: unit_test_aomatrix3d - -166: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix3d -166: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix3d -166: Test timeout computed to be: 1500 -test 167 - Start 167: unit_test_aotransform - -167: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aotransform -167: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aotransform -167: Test timeout computed to be: 1500 -test 168 - Start 168: unit_test_aopotential - -168: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aopotential -168: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aopotential -168: Test timeout computed to be: 1500 -test 169 - Start 169: unit_test_atom - -169: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_atom -169: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_atom -169: Test timeout computed to be: 1500 -test 170 - Start 170: unit_test_qmatom - -170: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmatom -170: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmatom -170: Test timeout computed to be: 1500 -115/249 Test #132: partial_rdfHelp .................................... Passed 0.08 sec 133: ================================================== 133: ======== VOTCA (http://www.votca.org) ======== 133: ================================================== @@ -31320,7 +31197,6 @@ 133: --first-frame arg (=0) start with this frame 133: --nframes arg process the given number of frames 133: -116/249 Test #133: radiiHelp .......................................... Passed 0.08 sec 134: ================================================== 134: ======== VOTCA (http://www.votca.org) ======== 134: ================================================== @@ -31363,8 +31239,6 @@ 134: --first-frame arg (=0) start with this frame 134: --nframes arg process the given number of frames 134: -117/249 Test #134: sphericalorderHelp ................................. Passed 0.08 sec -87: Comparing all.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc to a tolerance of 5e-05 135: ================================================== 135: ======== VOTCA (http://www.votca.org) ======== 135: ================================================== @@ -31395,43 +31269,105 @@ 135: --first-frame arg (=0) start with this frame 135: --nframes arg process the given number of frames 135: -103: Number of degrees of freedom in T-Coupling group System is 15.00 -103: -103: There were 2 NOTEs -103: -103: GROMACS reminds you: "Chemistry: It tends to be a messy science." (Gunnar von Heijne, former chair of the Nobel Committee for chemistry) -103: -103: Setting the LD random seed to -1149248794 -103: -103: Generated 330891 of the 330891 non-bonded parameter combinations -103: -103: Generated 330891 of the 330891 1-4 parameter combinations -103: -103: Excluding 2 bonded neighbours molecule type 'SOL' -103: Analysing residue names: -103: There are: 3 Water residues -103: -103: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K -103: -103: Calculated rlist for 1x1 atom pair-list as 0.900 nm, buffer size 0.000 nm -103: -103: Set rlist, assuming 4x4 atom pair-list, to 0.900 nm, buffer size 0.000 nm -103: -103: Note that mdrun will redetermine rlist based on the actual pair-list setup -103: -103: This run will generate roughly 0 Mb of data 136: Running 3 test cases... 136: 136: *** No errors detected 136:  -138: Running 2 test cases... -138: -138: *** No errors detected -138:  137: Running 1 test case... 137: 137: *** No errors detected 137:  +138: Running 2 test cases... +138: +138: *** No errors detected +138:  +112/249 Test #87: integration_Compare_csg_stat-imc_multi_output_2 .... Passed 0.58 sec +113/249 Test #129: fluctuationsHelp ................................... Passed 0.29 sec +114/249 Test #130: orientcorrHelp ..................................... Passed 0.26 sec +115/249 Test #131: part_distHelp ...................................... Passed 0.26 sec +116/249 Test #132: partial_rdfHelp .................................... Passed 0.24 sec +117/249 Test #133: radiiHelp .......................................... Passed 0.22 sec +118/249 Test #134: sphericalorderHelp ................................. Passed 0.20 sec +119/249 Test #135: traj_forceHelp ..................................... Passed 0.19 sec +120/249 Test #136: unit_test_bead ..................................... Passed 0.17 sec +121/249 Test #137: unit_test_beadtriple ............................... Passed 0.15 sec +122/249 Test #138: unit_test_basebead ................................. Passed 0.13 sec +test 145 + Start 145: unit_test_csg_topology + +145: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_csg_topology +145: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +145: Test timeout computed to be: 1500 +test 146 + Start 146: unit_test_interaction + +146: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_interaction +146: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +146: Test timeout computed to be: 1500 +test 147 + Start 147: unit_test_lammpsdatareader + +147: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdatareader +147: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +147: Test timeout computed to be: 1500 +test 148 + Start 148: unit_test_lammpsdumpreaderwriter + +148: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdumpreaderwriter +148: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +148: Test timeout computed to be: 1500 +test 149 + Start 149: unit_test_nblist_3body + +149: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblist_3body +149: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +149: Test timeout computed to be: 1500 +test 150 + Start 150: unit_test_nblistgrid_3body + +150: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblistgrid_3body +150: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +150: Test timeout computed to be: 1500 +test 151 + Start 151: unit_test_boundarycondition + +151: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_boundarycondition +151: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +151: Test timeout computed to be: 1500 +test 152 + Start 152: unit_test_pdbreader + +152: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_pdbreader +152: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +152: Test timeout computed to be: 1500 +test 153 + Start 153: unit_test_tabulatedpotential + +153: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_tabulatedpotential +153: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +153: Test timeout computed to be: 1500 +test 154 + Start 154: unit_test_triplelist + +154: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_triplelist +154: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +154: Test timeout computed to be: 1500 +test 155 + Start 155: unit_iie.py + +155: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/iie.py" +155: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse +155: Test timeout computed to be: 1500 +test 156 + Start 156: unit_check_csg_xml.py + +156: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/check_csg_xml.py" +156: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse +156: Test timeout computed to be: 1500 +139: Running 4 test cases... +139: +139: *** No errors detected +139:  141: Running 3 test cases... 141: 141: *** No errors detected @@ -31440,10 +31376,6 @@ 140: 140: *** No errors detected 140:  -139: Running 4 test cases... -139: -139: *** No errors detected -139:  142: Running 10 test cases... 142: 142: *** No errors detected @@ -31623,6 +31555,104 @@ 152: 152: *** No errors detected 152:  +123/249 Test #139: unit_test_beadmotif_algorithms ..................... Passed 0.31 sec +124/249 Test #140: unit_test_beadmotif_base ........................... Passed 0.29 sec +125/249 Test #141: unit_test_beadmotif_connector ...................... Passed 0.27 sec +126/249 Test #142: unit_test_beadstructure_base ....................... Passed 0.26 sec +127/249 Test #143: unit_test_beadstructure_algorithms ................. Passed 0.25 sec +128/249 Test #144: unit_test_bondedstatistics ......................... Passed 0.23 sec +129/249 Test #145: unit_test_csg_topology ............................. Passed 0.21 sec +130/249 Test #146: unit_test_interaction .............................. Passed 0.19 sec +131/249 Test #147: unit_test_lammpsdatareader ......................... Passed 0.17 sec +132/249 Test #148: unit_test_lammpsdumpreaderwriter ................... Passed 0.15 sec +133/249 Test #149: unit_test_nblist_3body ............................. Passed 0.14 sec +134/249 Test #150: unit_test_nblistgrid_3body ......................... Passed 0.13 sec +135/249 Test #151: unit_test_boundarycondition ........................ Passed 0.11 sec +136/249 Test #152: unit_test_pdbreader ................................ Passed 0.10 sec +test 157 + Start 157: template_serialHelp + +157: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_serial "--help" +157: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template +157: Test timeout computed to be: 1500 +test 158 + Start 158: template_threadedHelp + +158: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_threaded "--help" +158: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template +158: Test timeout computed to be: 1500 +test 159 + Start 159: integration_xtp_mapHelp + +159: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_map "--help" +159: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +159: Test timeout computed to be: 1500 +test 160 + Start 160: integration_xtp_runHelp + +160: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_run "--help" +160: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +160: Test timeout computed to be: 1500 +test 161 + Start 161: integration_xtp_toolsHelp + +161: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_tools "--help" +161: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +161: Test timeout computed to be: 1500 +test 162 + Start 162: integration_xtp_parallelHelp + +162: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_parallel "--help" +162: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +162: Test timeout computed to be: 1500 +test 163 + Start 163: unit_test_adiis + +163: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_adiis +163: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_adiis +163: Test timeout computed to be: 1500 +test 164 + Start 164: unit_test_aobasis + +164: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aobasis +164: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aobasis +164: Test timeout computed to be: 1500 +test 165 + Start 165: unit_test_aomatrix + +165: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix +165: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix +165: Test timeout computed to be: 1500 +test 166 + Start 166: unit_test_aomatrix3d + +166: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix3d +166: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix3d +166: Test timeout computed to be: 1500 +test 167 + Start 167: unit_test_aotransform + +167: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aotransform +167: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aotransform +167: Test timeout computed to be: 1500 +test 168 + Start 168: unit_test_aopotential + +168: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aopotential +168: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aopotential +168: Test timeout computed to be: 1500 +test 169 + Start 169: unit_test_atom + +169: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_atom +169: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_atom +169: Test timeout computed to be: 1500 +test 170 + Start 170: unit_test_qmatom + +170: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmatom +170: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmatom +170: Test timeout computed to be: 1500 153: Running 3 test cases... 153: Number of H2 96 153: bonded_values after pulling out of statistics 4560 @@ -31691,6 +31721,32 @@ 158: --first-frame arg (=0) start with this frame 158: --nframes arg process the given number of frames 158: +159: ================================================== +159: ======== VOTCA (http://www.votca.org) ======== +159: ================================================== +159: +159: please submit bugs to https://github.com/votca/votca/issues +159: +159: xtp_map, version 2024 (compiled Feb 29 2024, 03:52:32) +159: +159: Generates QM|MD topology +159: +159: +159: +159: Allowed options: +159: -h [ --help ] display this help and exit +159: --verbose be loud and noisy +159: --verbose1 be very loud and noisy +159: -v [ --verbose2 ] be extremly loud and noisy +159: -t [ --topology ] arg topology +159: -c [ --coordinates ] arg coordinates or trajectory +159: -s [ --segments ] arg definition of segments and fragments +159: -m [ --makesegments ] write out a skeleton segments file +159: -f [ --file ] arg state file +159: -i [ --first-frame ] arg (=0) start from this frame +159: -b [ --begin ] arg (=0) start time in simulation +159: -n [ --nframes ] arg (=1) number of frames to process +159: 160: ================================================== 160: ======== VOTCA (http://www.votca.org) ======== 160: ================================================== @@ -31722,53 +31778,78 @@ 160: -n [ --nframes ] arg (=1) number of frames to process 160: -s [ --save ] arg (=1) whether or not to save changes to state file 160: -118/249 Test #103: integration_Run_gmx_grompp ......................... Passed 0.35 sec -119/249 Test #87: integration_Compare_csg_stat-imc_multi_output_2 .... Passed 0.14 sec -120/249 Test #135: traj_forceHelp ..................................... Passed 0.09 sec -121/249 Test #136: unit_test_bead ..................................... Passed 0.08 sec -122/249 Test #137: unit_test_beadtriple ............................... Passed 0.08 sec -123/249 Test #138: unit_test_basebead ................................. Passed 0.08 sec -124/249 Test #139: unit_test_beadmotif_algorithms ..................... Passed 0.08 sec -125/249 Test #140: unit_test_beadmotif_base ........................... Passed 0.08 sec -126/249 Test #141: unit_test_beadmotif_connector ...................... Passed 0.08 sec -127/249 Test #142: unit_test_beadstructure_base ....................... Passed 0.07 sec -128/249 Test #143: unit_test_beadstructure_algorithms ................. Passed 0.07 sec -129/249 Test #144: unit_test_bondedstatistics ......................... Passed 0.07 sec -130/249 Test #145: unit_test_csg_topology ............................. Passed 0.06 sec -131/249 Test #146: unit_test_interaction .............................. Passed 0.06 sec -132/249 Test #147: unit_test_lammpsdatareader ......................... Passed 0.06 sec -133/249 Test #148: unit_test_lammpsdumpreaderwriter ................... Passed 0.06 sec -134/249 Test #149: unit_test_nblist_3body ............................. Passed 0.06 sec -135/249 Test #150: unit_test_nblistgrid_3body ......................... Passed 0.06 sec -136/249 Test #151: unit_test_boundarycondition ........................ Passed 0.05 sec -137/249 Test #152: unit_test_pdbreader ................................ Passed 0.05 sec -138/249 Test #154: unit_test_triplelist ............................... Passed 0.05 sec -139/249 Test #157: template_serialHelp ................................ Passed 0.04 sec -140/249 Test #158: template_threadedHelp .............................. Passed 0.04 sec -test 110 - Start 110: integration_Run_gmx_mdrun - -110: Test command: /usr/bin/gmx_d "mdrun" -110: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -110: Test timeout computed to be: 1500 -test 104 - Start 104: integration_Run_csg_dump_gmx_tpr - -104: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top topol.tpr > csg_dump_tpr.out" -104: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -104: Test timeout computed to be: 1500 -test 106 - Start 106: integration_Run_csg_dump_gmx_tpr_excl - -106: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --excl --top topol.tpr > csg_dump_tpr_excl.out" -106: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -106: Test timeout computed to be: 1500 -test 108 - Start 108: integration_Run_csg_dump_gmx_tpr_cg - -108: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --cg /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/../mapping.xml --top topol.tpr > csg_dump_tpr_cg.out" -108: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -108: Test timeout computed to be: 1500 +161: ================================================== +161: ======== VOTCA (http://www.votca.org) ======== +161: ================================================== +161: +161: please submit bugs to https://github.com/votca/votca/issues +161: +161: xtp_tools, version 2024 (compiled Feb 29 2024, 03:52:32) +161: +161: Runs excitation/charge transport tools +161: +161: +161: +161: Allowed options: +161: -h [ --help ] display this help and exit +161: --verbose be loud and noisy +161: --verbose1 be very loud and noisy +161: -v [ --verbose2 ] be extremly loud and noisy +161: -o [ --options ] arg Tool user options. +161: -t [ --nthreads ] arg (=1) number of threads to create +161: -e [ --execute ] arg Name of Tool to run +161: -l [ --list ] Lists all available Tools +161: -d [ --description ] arg Short description of a Tools +161: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c +161: xmltag.subtag=value'. Use whitespace to separate +161: multiple options +161: -p [ --printoptions ] arg Prints xml options of a Tool +161: +162: ================================================== +162: ======== VOTCA (http://www.votca.org) ======== +162: ================================================== +162: +162: please submit bugs to https://github.com/votca/votca/issues +162: +162: xtp_parallel, version 2024 (compiled Feb 29 2024, 03:52:32) +162: +162: Runs job-based heavy-duty calculators +162: +162: +162: +162: Allowed options: +162: -h [ --help ] display this help and exit +162: --verbose be loud and noisy +162: --verbose1 be very loud and noisy +162: -v [ --verbose2 ] be extremly loud and noisy +162: -o [ --options ] arg Calculator user options. +162: -t [ --nthreads ] arg (=1) number of threads to create +162: -e [ --execute ] arg Name of Calculator to run +162: -l [ --list ] Lists all available Calculators +162: -d [ --description ] arg Short description of a Calculators +162: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c +162: xmltag.subtag=value'. Use whitespace to +162: separate multiple options +162: -p [ --printoptions ] arg Prints xml options of a Calculator +162: -f [ --file ] arg hdf5 state file, *.hdf5 +162: -i [ --first-frame ] arg (=0) start from this frame +162: -n [ --nframes ] arg (=1) number of frames to process +162: -s [ --save ] arg (=1) whether or not to save changes to state file +162: -x [ --ompthreads ] arg (=1) number of openmp threads to create in each +162: thread +162: -r [ --restart ] arg restart pattern: 'host(pc1:234) +162: stat(FAILED)' +162: -q [ --cache ] arg (=8) assigns jobs in blocks of this size +162: -j [ --jobs ] arg (=run) task(s) to perform: write, run, read +162: -m [ --maxjobs ] arg (=-1) maximum number of jobs to process (-1 = inf) +162: +137/249 Test #154: unit_test_triplelist ............................... Passed 0.29 sec +138/249 Test #157: template_serialHelp ................................ Passed 0.22 sec +139/249 Test #158: template_threadedHelp .............................. Passed 0.20 sec +140/249 Test #159: integration_xtp_mapHelp ............................ Passed 0.19 sec +141/249 Test #160: integration_xtp_runHelp ............................ Passed 0.17 sec +142/249 Test #161: integration_xtp_toolsHelp .......................... Passed 0.15 sec +143/249 Test #162: integration_xtp_parallelHelp ....................... Passed 0.14 sec test 171 Start 171: unit_test_polarsegment @@ -31811,36 +31892,114 @@ 177: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_convergenceacc 177: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_convergenceacc 177: Test timeout computed to be: 1500 +163: Running 1 test case... +163: +163: *** No errors detected +163:  +61: This should be a number: -0.0413191 +61: This should be a number: -0.854333 +61: +61: Block No1 done! +61: Updating file: CG-CG.force +61: Updating files: CG-CG-CG.pot and: CG-CG-CG.force +61: +61: We are done, thank you very much! +167: Running 2 test cases... +167: +167: *** No errors detected +167:  +144/249 Test #61: integration_Run_csg_fmatch_3body ................... Passed 2.91 sec +145/249 Test #163: unit_test_adiis .................................... Passed 0.25 sec +146/249 Test #167: unit_test_aotransform .............................. Passed 0.18 sec +test 62 + Start 62: integration_Compare_csg_fmatch_3body_output1 + +62: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body" +62: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body +62: Test timeout computed to be: 1500 +test 63 + Start 63: integration_Compare_csg_fmatch_3body_output2 + +63: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body" +63: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body +63: Test timeout computed to be: 1500 +test 64 + Start 64: integration_Compare_csg_fmatch_3body_output3 + +64: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.pot" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body" +64: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body +64: Test timeout computed to be: 1500 +170: Running 2 test cases... +170: +170: *** No errors detected +174: Running 1 test case... +174: +174: *** No errors detected +170:  +147/249 Test #170: unit_test_qmatom ................................... Passed 0.24 sec test 178 Start 178: unit_test_dftcoupling 178: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_dftcoupling 178: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_dftcoupling 178: Test timeout computed to be: 1500 +174:  +169: Running 3 test cases... +169: +169: *** No errors detected +148/249 Test #174: unit_test_bseoperator_btda ......................... Passed 0.20 sec test 179 Start 179: unit_test_diis 179: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_diis 179: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_diis 179: Test timeout computed to be: 1500 +169:  +149/249 Test #169: unit_test_atom ..................................... Passed 0.32 sec test 180 Start 180: unit_test_ecpaobasis 180: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_ecpaobasis 180: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_ecpaobasis 180: Test timeout computed to be: 1500 +173: Running 1 test case... +173: +173: *** No errors detected +171: Running 5 test cases... +171: +171: *** No errors detected +173:  +150/249 Test #173: unit_test_basisset ................................. Passed 0.30 sec test 181 Start 181: unit_test_eigen 181: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_eigen 181: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_eigen 181: Test timeout computed to be: 1500 +171:  +172: Running 3 test cases... +172: +172: *** No errors detected +151/249 Test #171: unit_test_polarsegment ............................. Passed 0.36 sec test 182 Start 182: unit_test_eris 182: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_eris 182: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_eris 182: Test timeout computed to be: 1500 +175: Running 3 test cases... +175: 7 +175: 12 +175: 14 +175: +175: *** No errors detected +166: Running 2 test cases... +166: +166: *** No errors detected +172:  +175:  +152/249 Test #172: unit_test_qmmolecule ............................... Passed 0.38 sec +153/249 Test #175: unit_test_bfgs_trm ................................. Passed 0.35 sec test 183 Start 183: unit_test_espfit @@ -31853,6 +32012,13 @@ 184: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_glink 184: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_glink 184: Test timeout computed to be: 1500 +166:  +181: Running 3 test cases... +181: +181: *** No errors detected +181:  +154/249 Test #166: unit_test_aomatrix3d ............................... Passed 0.54 sec +155/249 Test #181: unit_test_eigen .................................... Passed 0.13 sec test 185 Start 185: unit_test_hdf5 @@ -31865,12 +32031,29 @@ 186: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_cubefile_writer 186: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_cubefile_writer 186: Test timeout computed to be: 1500 +103: Number of degrees of freedom in T-Coupling group System is 15.00 +103: +103: There were 2 NOTEs +184: Running 1 test case... +184: +184: *** No errors detected +184:  +165: Running 3 test cases... +165: +165: *** No errors detected +64: Comparing CG-CG-CG.pot and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body to a tolerance of 5e-05 +63: Comparing CG-CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body to a tolerance of 5e-05 +156/249 Test #184: unit_test_glink .................................... Passed 0.08 sec test 187 Start 187: unit_test_densityintegration 187: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_densityintegration 187: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_densityintegration 187: Test timeout computed to be: 1500 +165:  +62: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body to a tolerance of 5e-05 +157/249 Test #165: unit_test_aomatrix ................................. Passed 0.64 sec +158/249 Test #64: integration_Compare_csg_fmatch_3body_output3 ....... Passed 0.37 sec test 188 Start 188: unit_test_vxc_potential @@ -31883,6 +32066,11 @@ 189: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_vxc_grid 189: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_vxc_grid 189: Test timeout computed to be: 1500 +164: Running 3 test cases... +164: +164: *** No errors detected +159/249 Test #62: integration_Compare_csg_fmatch_3body_output1 ....... Passed 0.47 sec +160/249 Test #63: integration_Compare_csg_fmatch_3body_output2 ....... Passed 0.44 sec test 190 Start 190: unit_test_regular_grid @@ -31895,736 +32083,683 @@ 191: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_orbitals 191: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_orbitals 191: Test timeout computed to be: 1500 +164:  +179: Running 1 test case... +179: +179: *** No errors detected +161/249 Test #164: unit_test_aobasis .................................. Passed 0.75 sec test 192 Start 192: unit_test_polarsite 192: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_polarsite 192: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_polarsite 192: Test timeout computed to be: 1500 -141/249 Test #160: integration_xtp_runHelp ............................ Passed 0.25 sec -159: ================================================== -159: ======== VOTCA (http://www.votca.org) ======== -159: ================================================== -159: -159: please submit bugs to https://github.com/votca/votca/issues -159: -159: xtp_map, version 2024 (compiled Feb 29 2024, 03:52:32) -159: -159: Generates QM|MD topology -159: -159: -159: -159: Allowed options: -159: -h [ --help ] display this help and exit -159: --verbose be loud and noisy -159: --verbose1 be very loud and noisy -159: -v [ --verbose2 ] be extremly loud and noisy -159: -t [ --topology ] arg topology -159: -c [ --coordinates ] arg coordinates or trajectory -159: -s [ --segments ] arg definition of segments and fragments -159: -m [ --makesegments ] write out a skeleton segments file -159: -f [ --file ] arg state file -159: -i [ --first-frame ] arg (=0) start from this frame -159: -b [ --begin ] arg (=0) start time in simulation -159: -n [ --nframes ] arg (=1) number of frames to process -159: -142/249 Test #159: integration_xtp_mapHelp ............................ Passed 0.25 sec -161: ================================================== -161: ======== VOTCA (http://www.votca.org) ======== -161: ================================================== -161: -161: please submit bugs to https://github.com/votca/votca/issues -161: -161: xtp_tools, version 2024 (compiled Feb 29 2024, 03:52:32) -161: -161: Runs excitation/charge transport tools -161: -161: -161: -161: Allowed options: -161: -h [ --help ] display this help and exit -161: --verbose be loud and noisy -161: --verbose1 be very loud and noisy -161: -v [ --verbose2 ] be extremly loud and noisy -161: -o [ --options ] arg Tool user options. -161: -t [ --nthreads ] arg (=1) number of threads to create -161: -e [ --execute ] arg Name of Tool to run -161: -l [ --list ] Lists all available Tools -161: -d [ --description ] arg Short description of a Tools -161: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c -161: xmltag.subtag=value'. Use whitespace to separate -161: multiple options -161: -p [ --printoptions ] arg Prints xml options of a Tool -161: -143/249 Test #161: integration_xtp_toolsHelp .......................... Passed 0.25 sec -162: ================================================== -162: ======== VOTCA (http://www.votca.org) ======== -162: ================================================== -162: -162: please submit bugs to https://github.com/votca/votca/issues -162: -162: xtp_parallel, version 2024 (compiled Feb 29 2024, 03:52:32) -162: -162: Runs job-based heavy-duty calculators -162: -162: -162: -162: Allowed options: -162: -h [ --help ] display this help and exit -162: --verbose be loud and noisy -162: --verbose1 be very loud and noisy -162: -v [ --verbose2 ] be extremly loud and noisy -162: -o [ --options ] arg Calculator user options. -162: -t [ --nthreads ] arg (=1) number of threads to create -162: -e [ --execute ] arg Name of Calculator to run -162: -l [ --list ] Lists all available Calculators -162: -d [ --description ] arg Short description of a Calculators -162: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c -162: xmltag.subtag=value'. Use whitespace to -162: separate multiple options -162: -p [ --printoptions ] arg Prints xml options of a Calculator -162: -f [ --file ] arg hdf5 state file, *.hdf5 -162: -i [ --first-frame ] arg (=0) start from this frame -162: -n [ --nframes ] arg (=1) number of frames to process -162: -s [ --save ] arg (=1) whether or not to save changes to state file -162: -x [ --ompthreads ] arg (=1) number of openmp threads to create in each -162: thread -162: -r [ --restart ] arg restart pattern: 'host(pc1:234) -162: stat(FAILED)' -162: -q [ --cache ] arg (=8) assigns jobs in blocks of this size -162: -j [ --jobs ] arg (=run) task(s) to perform: write, run, read -162: -m [ --maxjobs ] arg (=-1) maximum number of jobs to process (-1 = inf) -162: -144/249 Test #162: integration_xtp_parallelHelp ....................... Passed 0.25 sec -163: Running 1 test case... -163: -163: *** No errors detected -163:  -145/249 Test #163: unit_test_adiis .................................... Passed 0.25 sec -167: Running 2 test cases... -167: -167: *** No errors detected -167:  -169: Running 3 test cases... -169: -169: *** No errors detected -169:  -170: Running 2 test cases... -170: -170: *** No errors detected -170:  -166: Running 2 test cases... -166: -166: *** No errors detected -166:  -110: :-) GROMACS - gmx mdrun, 2024.1-Debian_2024.1_1+b1 (double precision) (-: -110: -110: Executable: /usr/bin/gmx_d -110: Data prefix: /usr -110: Working dir: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -110: Command line: -110: gmx_d mdrun -110: -110: Compiled SIMD is SSE4.1, but AVX2_256 might be faster (see log). -110: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -110: -110: NOTE: Parallelization is limited by the small number of atoms, -110: only starting 1 thread-MPI ranks. -110: You can use the -nt and/or -ntmpi option to optimize the number of threads. -110: -110: Using 1 MPI thread -110: Using 16 OpenMP threads -110: -104: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -106: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -108: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -171: Running 5 test cases... -171: -171: *** No errors detected -171:  -172: Running 3 test cases... -172: -172: *** No errors detected -173: Running 1 test case... -173: -173: *** No errors detected -173:  -174: Running 1 test case... -174: -174: *** No errors detected -174:  -175: Running 3 test cases... -175: 7 -175: 12 -175: 14 -175: -175: *** No errors detected -175:  -179: Running 1 test case... -179: -179: *** No errors detected 179:  -181: Running 3 test cases... -181: -181: *** No errors detected -181:  -184: Running 1 test case... -184: -184: *** No errors detected -184:  -146/249 Test #166: unit_test_aomatrix3d ............................... Passed 0.24 sec -147/249 Test #167: unit_test_aotransform .............................. Passed 0.24 sec -148/249 Test #169: unit_test_atom ..................................... Passed 0.23 sec -149/249 Test #170: unit_test_qmatom ................................... Passed 0.23 sec -150/249 Test #104: integration_Run_csg_dump_gmx_tpr ................... Passed 0.21 sec -151/249 Test #106: integration_Run_csg_dump_gmx_tpr_excl .............. Passed 0.21 sec -152/249 Test #108: integration_Run_csg_dump_gmx_tpr_cg ................ Passed 0.20 sec -153/249 Test #171: unit_test_polarsegment ............................. Passed 0.20 sec -154/249 Test #173: unit_test_basisset ................................. Passed 0.19 sec -155/249 Test #174: unit_test_bseoperator_btda ......................... Passed 0.19 sec -156/249 Test #175: unit_test_bfgs_trm ................................. Passed 0.18 sec -157/249 Test #179: unit_test_diis ..................................... Passed 0.16 sec -158/249 Test #181: unit_test_eigen .................................... Passed 0.15 sec -159/249 Test #184: unit_test_glink .................................... Passed 0.15 sec -test 105 - Start 105: integration_Compare_csg_dump_gmx_tpr_output - -105: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr.out" -105: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -105: Test timeout computed to be: 1500 -test 107 - Start 107: integration_Compare_csg_dump_gmx_tpr_excl_output - -107: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_excl.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_excl.out" -107: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -107: Test timeout computed to be: 1500 -test 109 - Start 109: integration_Compare_csg_dump_gmx_tpr_cg_output - -109: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_cg.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_cg.out" -109: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -109: Test timeout computed to be: 1500 +178: Running 1 test case... +178: +178: *** No errors detected +162/249 Test #179: unit_test_diis ..................................... Passed 0.42 sec test 193 Start 193: unit_test_staticsite 193: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_staticsite 193: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_staticsite 193: Test timeout computed to be: 1500 +178:  +163/249 Test #178: unit_test_dftcoupling .............................. Passed 0.47 sec test 194 Start 194: unit_test_ppm 194: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_ppm 194: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_ppm 194: Test timeout computed to be: 1500 +185: Running 7 test cases... +185: +185: *** No errors detected +185:  +164/249 Test #185: unit_test_hdf5 ..................................... Passed 0.54 sec test 195 Start 195: unit_test_qmnblist 195: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmnblist 195: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmnblist 195: Test timeout computed to be: 1500 +177: Running 1 test case... +177: result mos +177: 0.996559 0.223082 -1.78969e-15 -4.95242e-15 -2.02391e-15 1.17866e-16 -1.65232e-16 -3.72532e-16 -0.0301914 -6.32849e-16 -3.89012e-16 5.80048e-17 0.102052 -1.34372e-14 -8.16187e-16 2.76341e-15 -0.111923 +177: 0.0445146 -0.88316 4.1165e-15 2.02043e-14 1.22432e-14 -7.04238e-15 -5.7801e-15 1.15186e-15 0.866126 -1.52656e-15 -3.00107e-15 -2.66193e-15 0.938329 -1.55542e-13 -1.0221e-14 3.16691e-14 -1.28767 +177: -8.67362e-17 5.56499e-15 0.37446 -0.330561 0.926584 -0.363588 -0.217484 0.166917 -2.86576e-15 -0.164008 0.377596 -0.0662099 -2.09555e-15 0.136742 0.0662301 -0.0449835 -1.8964e-14 +177: -3.01408e-17 -2.28463e-15 -0.968034 0.0528839 0.410077 -0.131148 -0.105487 -0.423119 9.92262e-16 -0.13306 0.0114675 0.395 -1.5786e-15 0.0248372 0.0495455 0.148448 1.2039e-15 +177: -1.65016e-16 2.70756e-14 0.175328 0.997989 0.28518 -0.240751 0.385914 -0.0215904 1.61329e-15 -0.359525 -0.176496 -0.115986 -2.56739e-16 -0.0761121 0.135156 -0.0323748 8.78811e-15 +177: -0.0472716 -0.235837 6.50174e-15 4.13558e-15 -4.76008e-15 7.5313e-15 8.6875e-15 4.19109e-15 -0.599523 6.82787e-15 9.36751e-15 2.94209e-15 -1.8333 5.25635e-13 2.80886e-14 -1.06692e-13 4.24316 +177: 3.20924e-16 -1.80411e-15 -0.0583844 0.0515398 -0.14447 0.306245 0.183184 -0.140591 9.99201e-16 0.727736 -1.67547 0.293787 6.75848e-15 -0.879016 -0.425745 0.289166 1.23734e-13 +177: 1.78677e-16 -5.27356e-16 0.150932 -0.00824546 -0.0639377 0.110464 0.0888506 0.356387 -1.06304e-14 0.590413 -0.0508834 -1.7527 3.6221e-15 -0.15966 -0.318492 -0.954262 -3.02536e-15 +177: 5.74193e-16 -7.16094e-15 -0.0273365 -0.155603 -0.0444642 0.202781 -0.32505 0.0181852 -1.2268e-14 1.59528 0.783148 0.514651 2.13718e-15 0.489269 -0.868821 0.208114 -5.45397e-14 +177: 0.00106227 -0.0237672 -0.00117273 0.0020197 0.00454752 0.686779 -0.0587743 0.259396 -0.343823 -0.481503 0.155884 0.156057 0.600309 -0.232789 -0.683467 -0.193627 0.0554949 +177: 0.00928842 0.0414346 -0.0210154 0.0361931 0.0814917 -0.00261598 0.000223875 -0.000988053 -0.0301047 -0.811432 0.262697 0.262989 -0.0095153 0.657754 1.93116 0.547103 -1.24406 +177: 0.00106227 -0.0237672 -0.00425586 -0.00172314 -0.00224787 -0.441854 0.255777 0.5308 -0.343823 0.286348 -0.139065 0.423278 0.600309 0.0974898 0.413571 -0.615031 0.0554949 +177: 0.00928842 0.0414346 -0.0762651 -0.0308786 -0.0402819 0.00168305 -0.00097427 -0.00202185 -0.0301047 0.482555 -0.234353 0.713312 -0.0095153 -0.275462 -1.16856 1.7378 -1.24406 +177: 0.00106227 -0.0237672 0.00215594 0.00357687 -0.00294828 -0.237165 -0.66194 -0.219075 -0.343823 -0.0458021 -0.414745 -0.32617 0.600309 0.647404 -0.0527871 0.369987 0.0554949 +177: 0.00928842 0.0414346 0.0386346 0.0640976 -0.0528332 0.000903374 0.00252137 0.000834468 -0.0301047 -0.077186 -0.698932 -0.549664 -0.0095153 -1.82927 0.149152 -1.04541 -1.24406 +177: 0.00106227 -0.0237672 0.00327265 -0.00387344 0.000648625 -0.00775959 0.464937 -0.571121 -0.343823 0.240957 0.397926 -0.253165 0.600309 -0.512105 0.322683 0.438672 0.0554949 +177: 0.00928842 0.0414346 0.0586459 -0.0694121 0.0116234 2.95567e-05 -0.00177097 0.00217543 -0.0301047 0.406063 0.670589 -0.426636 -0.0095153 1.44697 -0.911754 -1.23949 -1.24406 +177: ref mos +177: -0.996559 -0.223082 4.81443e-15 2.21045e-15 -6.16146e-17 -3.16966e-16 5.46703e-18 -1.09681e-15 -0.0301914 6.45993e-16 1.05377e-16 3.41154e-16 -0.102052 -5.79826e-16 9.38593e-16 -4.69346e-15 -0.111923 +177: -0.0445146 0.88316 -1.94941e-14 -8.67388e-15 -7.26679e-16 1.16326e-14 -3.35886e-15 2.37877e-14 0.866126 3.2068e-15 3.80914e-15 3.24563e-15 -0.938329 -6.4404e-15 1.10811e-14 -5.5056e-14 -1.28767 +177: 8.15798e-17 2.30849e-14 1.04169 0.117804 0.0951759 0.179467 0.147031 0.39183 -1.02927e-14 0.32699 -0.223689 -0.130009 1.0375e-15 -0.0940179 0.126956 0.0122904 1.41709e-15 +177: 4.60157e-17 -7.1203e-15 0.143338 -0.980459 -0.355251 0.41611 -0.10826 -0.149964 2.41546e-16 0.12214 -0.0512447 0.39537 1.1054e-15 -0.0996828 -0.0636092 -0.105478 5.10746e-15 +177: -5.25872e-18 4.8424e-15 0.0488925 0.364515 -0.9863 0.0447336 0.417155 -0.177023 5.76117e-15 -0.228081 -0.348136 0.0253377 -1.05286e-15 0.079576 0.0703157 -0.117608 5.31327e-15 +177: 0.0472716 0.235837 -3.58018e-15 -1.68354e-15 2.3989e-15 -9.86879e-15 4.52519e-15 -1.6106e-14 -0.599523 -1.31237e-14 -8.63443e-15 -8.61196e-15 1.8333 2.05275e-14 -3.9562e-14 1.89874e-13 4.24316 +177: -2.74184e-16 -1.53939e-15 -0.162416 -0.0183675 -0.0148395 -0.151162 -0.123842 -0.330032 1.10084e-15 -1.45092 0.992556 0.576875 -3.82954e-15 0.604373 -0.816111 -0.0790061 -8.89474e-15 +177: -2.24862e-16 3.23655e-15 -0.0223487 0.152869 0.0553894 -0.350483 0.0911859 0.126313 -5.48468e-15 -0.541961 0.227383 -1.75434 -3.89443e-15 0.640788 0.408897 0.67804 -3.17156e-14 +177: -2.81346e-17 -1.09423e-15 -0.00762313 -0.0568338 0.15378 -0.0376785 -0.351364 0.149104 -4.94425e-15 1.01204 1.54475 -0.112429 8.50653e-15 -0.511536 -0.452008 0.756019 -3.3547e-14 +177: -0.00106227 0.0237672 0.00345981 -0.00139675 -0.00349474 -0.597906 -0.425733 -0.0605479 -0.343823 0.162103 -0.45692 0.21318 -0.600309 0.310843 -0.36406 0.574148 0.0554949 +177: -0.00928842 -0.0414346 0.0619999 -0.0250297 -0.0626259 0.00227746 0.00162164 0.00023063 -0.0301047 0.273177 -0.770004 0.359253 0.0095153 -0.8783 1.02867 -1.62228 -1.24406 +177: -0.00106227 0.0237672 0.00238182 0.00205737 0.00402848 0.262742 0.151145 -0.671213 -0.343823 0.317484 0.12884 -0.40386 -0.600309 0.201313 -0.327527 -0.641099 0.0554949 +177: -0.00928842 -0.0414346 0.0426822 0.0368682 0.0721904 -0.0010008 -0.000575719 0.00255669 -0.0301047 0.535026 0.217123 -0.680588 0.0095153 -0.568818 0.925441 1.81145 -1.24406 +177: -0.00106227 0.0237672 -0.00318563 0.0034409 -0.00203628 0.514364 -0.353326 0.391148 -0.343823 -0.496623 -0.0536813 -0.176018 -0.600309 -0.744328 -0.01898 0.0665156 0.0554949 +177: -0.00928842 -0.0414346 -0.0570866 0.0616609 -0.0364902 -0.00195924 0.00134584 -0.0014899 -0.0301047 -0.836913 -0.0904642 -0.296627 0.0095153 2.10313 0.0536287 -0.187943 -1.24406 +177: -0.00106227 0.0237672 -0.002656 -0.00410152 0.00150255 -0.1792 0.627913 0.340613 -0.343823 0.0170366 0.38176 0.366698 -0.600309 0.232172 0.710567 0.000435528 0.0554949 +177: -0.00928842 -0.0414346 -0.0475955 -0.0734994 0.0269257 0.000682583 -0.00239176 -0.00129742 -0.0301047 0.0287103 0.643346 0.617962 0.0095153 -0.656011 -2.00774 -0.0012306 -1.24406 +177: norms +177: 1 +177: 1 +177: 0.954951 +177: 0.996401 +177: 0.993462 +177: proj +177: -1 2.64945e-08 2.60209e-17 -2.08167e-17 -9.04225e-17 +177: 8.38315e-08 -1 2.16008e-14 1.8735e-14 2.89872e-14 +177: -1.07499e-16 2.77259e-14 0.204235 -0.25123 0.925063 +177: 1.70762e-18 2.08917e-14 0.917 0.256954 -0.184787 +177: 2.19073e-10 -2.30681e-09 0.171264 -0.929341 -0.311578 +177: +177: *** No errors detected +192: Running 5 test cases... +192: +192: *** No errors detected +193: Running 6 test cases... +193: +193: *** No errors detected +177:  +165/249 Test #177: unit_test_convergenceacc ........................... Passed 0.98 sec test 196 Start 196: unit_test_qmpair 196: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmpair 196: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmpair 196: Test timeout computed to be: 1500 +193:  +166/249 Test #193: unit_test_staticsite ............................... Passed 0.44 sec test 197 Start 197: unit_test_qmstate 197: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmstate 197: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmstate 197: Test timeout computed to be: 1500 +192:  +190: Running 2 test cases... +190: +190: *** No errors detected +167/249 Test #192: unit_test_polarsite ................................ Passed 0.50 sec test 198 Start 198: unit_test_radial_euler_maclaurin_rule 198: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_radial_euler_maclaurin_rule 198: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_radial_euler_maclaurin_rule 198: Test timeout computed to be: 1500 +190:  +168/249 Test #190: unit_test_regular_grid ............................. Passed 0.61 sec test 199 Start 199: unit_test_rpa 199: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rpa 199: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rpa 199: Test timeout computed to be: 1500 +186: Running 1 test case... +186: +186: *** No errors detected +186:  +169/249 Test #186: unit_test_cubefile_writer .......................... Passed 0.96 sec test 200 Start 200: unit_test_rpa_h2p 200: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rpa_h2p 200: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rpa_h2p 200: Test timeout computed to be: 1500 +195: Running 2 test cases... +195: +195: *** No errors detected +195:  +170/249 Test #195: unit_test_qmnblist ................................. Passed 0.53 sec test 201 Start 201: unit_test_segment 201: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_segment 201: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_segment 201: Test timeout computed to be: 1500 +197: Running 2 test cases... +197: +197: *** No errors detected +191: Running 5 test cases... +191: +191: *** No errors detected +196: Running 1 test case... +196: +196: *** No errors detected +197:  +171/249 Test #197: unit_test_qmstate .................................. Passed 0.61 sec test 202 Start 202: unit_test_aoshell 202: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aoshell 202: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aoshell 202: Test timeout computed to be: 1500 +191:  +172/249 Test #191: unit_test_orbitals ................................. Passed 1.14 sec test 203 Start 203: unit_test_sphere_lebedev_rule 203: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sphere_lebedev_rule 203: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sphere_lebedev_rule 203: Test timeout computed to be: 1500 +198: Running 1 test case... +198: +198: *** No errors detected +196:  +173/249 Test #196: unit_test_qmpair ................................... Passed 0.72 sec test 204 Start 204: unit_test_statetracker 204: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_statetracker 204: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_statetracker 204: Test timeout computed to be: 1500 +198:  +174/249 Test #198: unit_test_radial_euler_maclaurin_rule .............. Passed 0.70 sec test 205 Start 205: unit_test_symmetric_matrix 205: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_symmetric_matrix 205: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_symmetric_matrix 205: Test timeout computed to be: 1500 +201: Running 2 test cases... +201: +201: *** No errors detected +202: Running 1 test case... +202: +202: *** No errors detected +201:  +175/249 Test #201: unit_test_segment .................................. Passed 0.71 sec test 206 Start 206: unit_test_threecenter_dft 206: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_threecenter_dft 206: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_threecenter_dft 206: Test timeout computed to be: 1500 +202:  +176/249 Test #202: unit_test_aoshell .................................. Passed 0.58 sec test 207 Start 207: unit_test_threecenter_gwbse 207: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_threecenter_gwbse 207: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_threecenter_gwbse 207: Test timeout computed to be: 1500 +182: Running 2 test cases... +182: +182: *** No errors detected +182:  +177/249 Test #182: unit_test_eris ..................................... Passed 2.07 sec test 208 Start 208: unit_test_topology 208: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_topology 208: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_topology 208: Test timeout computed to be: 1500 -172:  -192: Running 5 test cases... -192: -192: *** No errors detected -192:  -165: Running 3 test cases... -165: -165: *** No errors detected -165:  -178: Running 1 test case... -178: -178: *** No errors detected -178:  -185: Running 7 test cases... -185: -185: *** No errors detected -185:  -190: Running 2 test cases... -190: -190: *** No errors detected -190:  -193: Running 6 test cases... -193: -193: *** No errors detected -193:  -195: Running 2 test cases... -195: -195: *** No errors detected -195:  -160/249 Test #165: unit_test_aomatrix ................................. Passed 0.45 sec -161/249 Test #172: unit_test_qmmolecule ............................... Passed 0.40 sec -162/249 Test #178: unit_test_dftcoupling .............................. Passed 0.37 sec -163/249 Test #185: unit_test_hdf5 ..................................... Passed 0.36 sec -164/249 Test #190: unit_test_regular_grid ............................. Passed 0.33 sec -165/249 Test #192: unit_test_polarsite ................................ Passed 0.22 sec -166/249 Test #105: integration_Compare_csg_dump_gmx_tpr_output ........ Passed 0.21 sec -167/249 Test #107: integration_Compare_csg_dump_gmx_tpr_excl_output ... Passed 0.20 sec -168/249 Test #109: integration_Compare_csg_dump_gmx_tpr_cg_output ..... Passed 0.18 sec -169/249 Test #193: unit_test_staticsite ............................... Passed 0.17 sec -170/249 Test #195: unit_test_qmnblist ................................. Passed 0.15 sec +189: Running 1 test case... +189: +189: *** No errors detected +205: Running 6 test cases... +205: +205: *** No errors detected +205:  +178/249 Test #205: unit_test_symmetric_matrix ......................... Passed 0.67 sec test 209 Start 209: unit_test_sigma_exact 209: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sigma_exact 209: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sigma_exact 209: Test timeout computed to be: 1500 +189:  +179/249 Test #189: unit_test_vxc_grid ................................. Passed 1.99 sec test 210 Start 210: unit_test_sigma_ppm 210: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sigma_ppm 210: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sigma_ppm 210: Test timeout computed to be: 1500 +203: Running 4 test cases... +203: +203: *** No errors detected +203:  +180/249 Test #203: unit_test_sphere_lebedev_rule ...................... Passed 0.97 sec test 211 Start 211: unit_test_sigma_cda 211: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sigma_cda 211: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sigma_cda 211: Test timeout computed to be: 1500 +199: Running 2 test cases... +199: +199: *** No errors detected +199:  +181/249 Test #199: unit_test_rpa ...................................... Passed 1.57 sec test 212 Start 212: unit_test_gw 212: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gw 212: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gw 212: Test timeout computed to be: 1500 +204: Running 2 test cases... +204: +204: *** No errors detected +204:  +194: Running 1 test case... +194: +194: *** No errors detected +182/249 Test #204: unit_test_statetracker ............................. Passed 1.06 sec test 213 Start 213: unit_test_bse_operator 213: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_bse_operator 213: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_bse_operator 213: Test timeout computed to be: 1500 +208: Running 3 test cases... +208: +208: *** No errors detected +208:  +183/249 Test #208: unit_test_topology ................................. Passed 0.45 sec test 214 Start 214: unit_test_davidson 214: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_davidson 214: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_davidson 214: Test timeout computed to be: 1500 +194:  +184/249 Test #194: unit_test_ppm ...................................... Passed 2.22 sec test 215 Start 215: unit_test_trustregion 215: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_trustregion 215: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_trustregion 215: Test timeout computed to be: 1500 +200: Running 1 test case... +200: +200: *** No errors detected +200:  +185/249 Test #200: unit_test_rpa_h2p .................................. Passed 1.50 sec test 216 Start 216: unit_test_gnode 216: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gnode 216: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gnode 216: Test timeout computed to be: 1500 +206: Running 1 test case... +206: +206: *** No errors detected +103: +103: GROMACS reminds you: "Sisters Have Always Fascinated Me" (Speech) +103: +206:  +215: Running 1 test case... +215: +215: *** No errors detected +186/249 Test #206: unit_test_threecenter_dft .......................... Passed 0.98 sec test 217 Start 217: unit_test_vc2index 217: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_vc2index 217: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_vc2index 217: Test timeout computed to be: 1500 +215:  +187/249 Test #215: unit_test_trustregion .............................. Passed 0.36 sec test 218 Start 218: unit_test_grid 218: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_grid 218: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_grid 218: Test timeout computed to be: 1500 +217: Running 1 test case... +217: +217: *** No errors detected +217:  +188/249 Test #217: unit_test_vc2index ................................. Passed 0.11 sec test 219 Start 219: unit_test_segmentmapper 219: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_segmentmapper 219: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_segmentmapper 219: Test timeout computed to be: 1500 -197: Running 2 test cases... -197: -197: *** No errors detected -197:  -196: Running 1 test case... -196: -196: *** No errors detected -196:  -186: Running 1 test case... -186: -186: *** No errors detected -186:  -198: Running 1 test case... -198: -198: *** No errors detected -164: Running 3 test cases... -164: -164: *** No errors detected -201: Running 2 test cases... -201: -201: *** No errors detected -201:  -177: Running 1 test case... -177: result mos -177: 0.996559 0.223082 -1.78969e-15 -4.95242e-15 -2.02391e-15 1.17866e-16 -1.65232e-16 -3.72532e-16 -0.0301914 -6.32849e-16 -3.89012e-16 5.80048e-17 0.102052 -1.34372e-14 -8.16187e-16 2.76341e-15 -0.111923 -177: 0.0445146 -0.88316 4.1165e-15 2.02043e-14 1.22432e-14 -7.04238e-15 -5.7801e-15 1.15186e-15 0.866126 -1.52656e-15 -3.00107e-15 -2.66193e-15 0.938329 -1.55542e-13 -1.0221e-14 3.16691e-14 -1.28767 -177: -8.67362e-17 5.56499e-15 0.37446 -0.330561 0.926584 -0.363588 -0.217484 0.166917 -2.86576e-15 -0.164008 0.377596 -0.0662099 -2.09555e-15 0.136742 0.0662301 -0.0449835 -1.8964e-14 -177: -3.01408e-17 -2.28463e-15 -0.968034 0.0528839 0.410077 -0.131148 -0.105487 -0.423119 9.92262e-16 -0.13306 0.0114675 0.395 -1.5786e-15 0.0248372 0.0495455 0.148448 1.2039e-15 -177: -1.65016e-16 2.70756e-14 0.175328 0.997989 0.28518 -0.240751 0.385914 -0.0215904 1.61329e-15 -0.359525 -0.176496 -0.115986 -2.56739e-16 -0.0761121 0.135156 -0.0323748 8.78811e-15 -177: -0.0472716 -0.235837 6.50174e-15 4.13558e-15 -4.76008e-15 7.5313e-15 8.6875e-15 4.19109e-15 -0.599523 6.82787e-15 9.36751e-15 2.94209e-15 -1.8333 5.25635e-13 2.80886e-14 -1.06692e-13 4.24316 -177: 3.20924e-16 -1.80411e-15 -0.0583844 0.0515398 -0.14447 0.306245 0.183184 -0.140591 9.99201e-16 0.727736 -1.67547 0.293787 6.75848e-15 -0.879016 -0.425745 0.289166 1.23734e-13 -177: 1.78677e-16 -5.27356e-16 0.150932 -0.00824546 -0.0639377 0.110464 0.0888506 0.356387 -1.06304e-14 0.590413 -0.0508834 -1.7527 3.6221e-15 -0.15966 -0.318492 -0.954262 -3.02536e-15 -177: 5.74193e-16 -7.16094e-15 -0.0273365 -0.155603 -0.0444642 0.202781 -0.32505 0.0181852 -1.2268e-14 1.59528 0.783148 0.514651 2.13718e-15 0.489269 -0.868821 0.208114 -5.45397e-14 -177: 0.00106227 -0.0237672 -0.00117273 0.0020197 0.00454752 0.686779 -0.0587743 0.259396 -0.343823 -0.481503 0.155884 0.156057 0.600309 -0.232789 -0.683467 -0.193627 0.0554949 -177: 0.00928842 0.0414346 -0.0210154 0.0361931 0.0814917 -0.00261598 0.000223875 -0.000988053 -0.0301047 -0.811432 0.262697 0.262989 -0.0095153 0.657754 1.93116 0.547103 -1.24406 -177: 0.00106227 -0.0237672 -0.00425586 -0.00172314 -0.00224787 -0.441854 0.255777 0.5308 -0.343823 0.286348 -0.139065 0.423278 0.600309 0.0974898 0.413571 -0.615031 0.0554949 -177: 0.00928842 0.0414346 -0.0762651 -0.0308786 -0.0402819 0.00168305 -0.00097427 -0.00202185 -0.0301047 0.482555 -0.234353 0.713312 -0.0095153 -0.275462 -1.16856 1.7378 -1.24406 -177: 0.00106227 -0.0237672 0.00215594 0.00357687 -0.00294828 -0.237165 -0.66194 -0.219075 -0.343823 -0.0458021 -0.414745 -0.32617 0.600309 0.647404 -0.0527871 0.369987 0.0554949 -177: 0.00928842 0.0414346 0.0386346 0.0640976 -0.0528332 0.000903374 0.00252137 0.000834468 -0.0301047 -0.077186 -0.698932 -0.549664 -0.0095153 -1.82927 0.149152 -1.04541 -1.24406 -177: 0.00106227 -0.0237672 0.00327265 -0.00387344 0.000648625 -0.00775959 0.464937 -0.571121 -0.343823 0.240957 0.397926 -0.253165 0.600309 -0.512105 0.322683 0.438672 0.0554949 -177: 0.00928842 0.0414346 0.0586459 -0.0694121 0.0116234 2.95567e-05 -0.00177097 0.00217543 -0.0301047 0.406063 0.670589 -0.426636 -0.0095153 1.44697 -0.911754 -1.23949 -1.24406 -177: ref mos -177: -0.996559 -0.223082 4.81443e-15 2.21045e-15 -6.16146e-17 -3.16966e-16 5.46703e-18 -1.09681e-15 -0.0301914 6.45993e-16 1.05377e-16 3.41154e-16 -0.102052 -5.79826e-16 9.38593e-16 -4.69346e-15 -0.111923 -177: -0.0445146 0.88316 -1.94941e-14 -8.67388e-15 -7.26679e-16 1.16326e-14 -3.35886e-15 2.37877e-14 0.866126 3.2068e-15 3.80914e-15 3.24563e-15 -0.938329 -6.4404e-15 1.10811e-14 -5.5056e-14 -1.28767 -177: 8.15798e-17 2.30849e-14 1.04169 0.117804 0.0951759 0.179467 0.147031 0.39183 -1.02927e-14 0.32699 -0.223689 -0.130009 1.0375e-15 -0.0940179 0.126956 0.0122904 1.41709e-15 -177: 4.60157e-17 -7.1203e-15 0.143338 -0.980459 -0.355251 0.41611 -0.10826 -0.149964 2.41546e-16 0.12214 -0.0512447 0.39537 1.1054e-15 -0.0996828 -0.0636092 -0.105478 5.10746e-15 -177: -5.25872e-18 4.8424e-15 0.0488925 0.364515 -0.9863 0.0447336 0.417155 -0.177023 5.76117e-15 -0.228081 -0.348136 0.0253377 -1.05286e-15 0.079576 0.0703157 -0.117608 5.31327e-15 -177: 0.0472716 0.235837 -3.58018e-15 -1.68354e-15 2.3989e-15 -9.86879e-15 4.52519e-15 -1.6106e-14 -0.599523 -1.31237e-14 -8.63443e-15 -8.61196e-15 1.8333 2.05275e-14 -3.9562e-14 1.89874e-13 4.24316 -177: -2.74184e-16 -1.53939e-15 -0.162416 -0.0183675 -0.0148395 -0.151162 -0.123842 -0.330032 1.10084e-15 -1.45092 0.992556 0.576875 -3.82954e-15 0.604373 -0.816111 -0.0790061 -8.89474e-15 -177: -2.24862e-16 3.23655e-15 -0.0223487 0.152869 0.0553894 -0.350483 0.0911859 0.126313 -5.48468e-15 -0.541961 0.227383 -1.75434 -3.89443e-15 0.640788 0.408897 0.67804 -3.17156e-14 -177: -2.81346e-17 -1.09423e-15 -0.00762313 -0.0568338 0.15378 -0.0376785 -0.351364 0.149104 -4.94425e-15 1.01204 1.54475 -0.112429 8.50653e-15 -0.511536 -0.452008 0.756019 -3.3547e-14 -177: -0.00106227 0.0237672 0.00345981 -0.00139675 -0.00349474 -0.597906 -0.425733 -0.0605479 -0.343823 0.162103 -0.45692 0.21318 -0.600309 0.310843 -0.36406 0.574148 0.0554949 -177: -0.00928842 -0.0414346 0.0619999 -0.0250297 -0.0626259 0.00227746 0.00162164 0.00023063 -0.0301047 0.273177 -0.770004 0.359253 0.0095153 -0.8783 1.02867 -1.62228 -1.24406 -177: -0.00106227 0.0237672 0.00238182 0.00205737 0.00402848 0.262742 0.151145 -0.671213 -0.343823 0.317484 0.12884 -0.40386 -0.600309 0.201313 -0.327527 -0.641099 0.0554949 -177: -0.00928842 -0.0414346 0.0426822 0.0368682 0.0721904 -0.0010008 -0.000575719 0.00255669 -0.0301047 0.535026 0.217123 -0.680588 0.0095153 -0.568818 0.925441 1.81145 -1.24406 -177: -0.00106227 0.0237672 -0.00318563 0.0034409 -0.00203628 0.514364 -0.353326 0.391148 -0.343823 -0.496623 -0.0536813 -0.176018 -0.600309 -0.744328 -0.01898 0.0665156 0.0554949 -177: -0.00928842 -0.0414346 -0.0570866 0.0616609 -0.0364902 -0.00195924 0.00134584 -0.0014899 -0.0301047 -0.836913 -0.0904642 -0.296627 0.0095153 2.10313 0.0536287 -0.187943 -1.24406 -177: -0.00106227 0.0237672 -0.002656 -0.00410152 0.00150255 -0.1792 0.627913 0.340613 -0.343823 0.0170366 0.38176 0.366698 -0.600309 0.232172 0.710567 0.000435528 0.0554949 -177: -0.00928842 -0.0414346 -0.0475955 -0.0734994 0.0269257 0.000682583 -0.00239176 -0.00129742 -0.0301047 0.0287103 0.643346 0.617962 0.0095153 -0.656011 -2.00774 -0.0012306 -1.24406 -177: norms -177: 1 -177: 1 -177: 0.954951 -177: 0.996401 -177: 0.993462 -177: proj -177: -1 2.64945e-08 2.60209e-17 -2.08167e-17 -9.04225e-17 -177: 8.38315e-08 -1 2.16008e-14 1.8735e-14 2.89872e-14 -177: -1.07499e-16 2.77259e-14 0.204235 -0.25123 0.925063 -177: 1.70762e-18 2.08917e-14 0.917 0.256954 -0.184787 -177: 2.19073e-10 -2.30681e-09 0.171264 -0.929341 -0.311578 -177: -177: *** No errors detected -202: Running 1 test case... -202: -202: *** No errors detected -202:  -217: Running 1 test case... -217: -217: *** No errors detected -217:  -171/249 Test #186: unit_test_cubefile_writer .......................... Passed 0.46 sec -172/249 Test #196: unit_test_qmpair ................................... Passed 0.24 sec -173/249 Test #197: unit_test_qmstate .................................. Passed 0.23 sec -174/249 Test #201: unit_test_segment .................................. Passed 0.20 sec -175/249 Test #202: unit_test_aoshell .................................. Passed 0.19 sec -176/249 Test #217: unit_test_vc2index ................................. Passed 0.04 sec +207: Running 1 test case... +207: +207: *** No errors detected +180: Running 1 test case... +180: +180: *** No errors detected +207:  +189/249 Test #207: unit_test_threecenter_gwbse ........................ Passed 1.30 sec test 220 Start 220: unit_test_eeinteractor 220: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_eeinteractor 220: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_eeinteractor 220: Test timeout computed to be: 1500 +180:  +190/249 Test #180: unit_test_ecpaobasis ............................... Passed 3.35 sec test 221 Start 221: unit_test_hist 221: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_hist 221: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_hist 221: Test timeout computed to be: 1500 +156: . [100%] +156: 1 passed in 0.46s +216: Running 2 test cases... +216: +216: *** No errors detected +216:  +191/249 Test #216: unit_test_gnode .................................... Passed 0.80 sec test 222 Start 222: unit_test_qmfragment 222: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmfragment 222: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmfragment 222: Test timeout computed to be: 1500 +218: Running 1 test case... +218: +218: *** No errors detected +219: Running 3 test cases... +219: +219: *** No errors detected +209: Running 1 test case... +209: +209: *** No errors detected +218:  +192/249 Test #218: unit_test_grid ..................................... Passed 0.71 sec test 223 Start 223: unit_test_jobtopology 223: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_jobtopology 223: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_jobtopology 223: Test timeout computed to be: 1500 +219:  +193/249 Test #219: unit_test_segmentmapper ............................ Passed 0.67 sec test 224 Start 224: unit_test_dipoledipoleinteraction 224: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_dipoledipoleinteraction 224: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_dipoledipoleinteraction 224: Test timeout computed to be: 1500 +209:  +194/249 Test #209: unit_test_sigma_exact .............................. Passed 1.52 sec test 225 Start 225: unit_test_populationanalysis 225: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_populationanalysis 225: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_populationanalysis 225: Test timeout computed to be: 1500 -198:  -164:  -177/249 Test #164: unit_test_aobasis .................................. Passed 0.68 sec -177:  -219: Running 3 test cases... -219: -219: *** No errors detected -219:  -208: Running 3 test cases... -208: -208: *** No errors detected -208:  -205: Running 6 test cases... -205: -205: *** No errors detected -222: Running 2 test cases... -222: -222: *** No errors detected -222:  -223: Running 1 test case... -223: -223: *** No errors detected -223:  -178/249 Test #177: unit_test_convergenceacc ........................... Passed 0.61 sec -179/249 Test #198: unit_test_radial_euler_maclaurin_rule .............. Passed 0.34 sec -180/249 Test #208: unit_test_topology ................................. Passed 0.23 sec -181/249 Test #219: unit_test_segmentmapper ............................ Passed 0.13 sec -182/249 Test #222: unit_test_qmfragment ............................... Passed 0.08 sec -183/249 Test #223: unit_test_jobtopology .............................. Passed 0.07 sec +103: Setting the LD random seed to -671385611 +103: +103: Generated 330891 of the 330891 non-bonded parameter combinations +103: +103: Generated 330891 of the 330891 1-4 parameter combinations +103: +103: Excluding 2 bonded neighbours molecule type 'SOL' +103: Analysing residue names: +103: There are: 3 Water residues +103: +103: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K +103: +103: Calculated rlist for 1x1 atom pair-list as 0.900 nm, buffer size 0.000 nm +103: +103: Set rlist, assuming 4x4 atom pair-list, to 0.900 nm, buffer size 0.000 nm +103: +103: Note that mdrun will redetermine rlist based on the actual pair-list setup +103: +103: This run will generate roughly 0 Mb of data +221: Running 1 test case... +221: +221: *** No errors detected +221:  +195/249 Test #221: unit_test_hist ..................................... Passed 0.53 sec test 226 Start 226: unit_test_orca 226: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_orca 226: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_orca 226: Test timeout computed to be: 1500 +210: Running 1 test case... +210: +210: *** No errors detected +222: Running 2 test cases... +222: +222: *** No errors detected +210:  +196/249 Test #210: unit_test_sigma_ppm ................................ Passed 1.72 sec test 227 Start 227: unit_test_dftengine 227: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_dftengine 227: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_dftengine 227: Test timeout computed to be: 1500 +222:  +197/249 Test #222: unit_test_qmfragment ............................... Passed 0.55 sec test 228 Start 228: unit_test_bsecoupling 228: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_bsecoupling 228: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_bsecoupling 228: Test timeout computed to be: 1500 +198/249 Test #156: unit_check_csg_xml.py .............................. Passed 4.60 sec test 229 Start 229: unit_test_rate_engine 229: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rate_engine 229: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rate_engine 229: Test timeout computed to be: 1500 +220: Running 9 test cases... +220: +220: *** No errors detected +220:  +199/249 Test #220: unit_test_eeinteractor ............................. Passed 0.82 sec test 230 Start 230: unit_test_DeltaQ_filter 230: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_DeltaQ_filter 230: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_DeltaQ_filter 230: Test timeout computed to be: 1500 +223: Running 1 test case... +223: +223: *** No errors detected +223:  +200/249 Test #223: unit_test_jobtopology .............................. Passed 0.50 sec test 231 Start 231: unit_test_oscillatorstrength_filter 231: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_oscillatorstrength_filter 231: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_oscillatorstrength_filter 231: Test timeout computed to be: 1500 +201/249 Test #103: integration_Run_gmx_grompp ......................... Passed 7.44 sec +test 110 + Start 110: integration_Run_gmx_mdrun + +110: Test command: /usr/bin/gmx_d "mdrun" +110: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +110: Test timeout computed to be: 1500 +226: Running 5 test cases... +226: orca +226: xtp +110: :-) GROMACS - gmx mdrun, 2024.1-Debian_2024.1_1+b1 (double precision) (-: +110: +110: Executable: /usr/bin/gmx_d +110: Data prefix: /usr +110: Working dir: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +110: Command line: +110: gmx_d mdrun +110: +226: +226: *** No errors detected +226:  +202/249 Test #226: unit_test_orca ..................................... Passed 0.63 sec +test 104 + Start 104: integration_Run_csg_dump_gmx_tpr + +104: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top topol.tpr > csg_dump_tpr.out" +104: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +104: Test timeout computed to be: 1500 +229: Running 2 test cases... +229: +229: *** No errors detected +188: Running 1 test case... +188: +188: *** No errors detected +229:  +203/249 Test #229: unit_test_rate_engine .............................. Passed 0.63 sec +test 106 + Start 106: integration_Run_csg_dump_gmx_tpr_excl + +106: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --excl --top topol.tpr > csg_dump_tpr_excl.out" +106: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +106: Test timeout computed to be: 1500 +213: Running 1 test case... +213: +213: *** No errors detected +188:  +204/249 Test #188: unit_test_vxc_potential ............................ Passed 4.53 sec +test 108 + Start 108: integration_Run_csg_dump_gmx_tpr_cg + +108: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --cg /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/../mapping.xml --top topol.tpr > csg_dump_tpr_cg.out" +108: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +108: Test timeout computed to be: 1500 +225: Running 2 test cases... +225: +225: *** No errors detected +213:  +205/249 Test #213: unit_test_bse_operator ............................. Passed 2.28 sec test 232 Start 232: unit_test_localisation_filter 232: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_localisation_filter 232: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_localisation_filter 232: Test timeout computed to be: 1500 -205:  -156: . [100%] -156: 1 passed in 0.24s -221: Running 1 test case... -221: -221: *** No errors detected -221:  -184/249 Test #205: unit_test_symmetric_matrix ......................... Passed 0.36 sec -185/249 Test #221: unit_test_hist ..................................... Passed 0.16 sec +225:  +206/249 Test #225: unit_test_populationanalysis ....................... Passed 1.14 sec test 233 Start 233: unit_test_density_filter 233: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_density_filter 233: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_density_filter 233: Test timeout computed to be: 1500 +104: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +110: Compiled SIMD is SSE4.1, but AVX_256 might be faster (see log). +110: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +110: +110: NOTE: Parallelization is limited by the small number of atoms, +110: only starting 1 thread-MPI ranks. +110: You can use the -nt and/or -ntmpi option to optimize the number of threads. +110: +110: Using 1 MPI thread +110: Using 8 OpenMP threads +110: +207/249 Test #104: integration_Run_csg_dump_gmx_tpr ................... Passed 0.41 sec +test 105 + Start 105: integration_Compare_csg_dump_gmx_tpr_output + +105: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr.out" +105: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +105: Test timeout computed to be: 1500 +230: Running 1 test case... +230: +230: *** No errors detected +230:  +208/249 Test #230: unit_test_DeltaQ_filter ............................ Passed 0.87 sec test 234 Start 234: unit_test_overlap_filter 234: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_overlap_filter 234: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_overlap_filter 234: Test timeout computed to be: 1500 -215: Running 1 test case... -215: -215: *** No errors detected -215:  -191: Running 5 test cases... -191: -191: *** No errors detected -203: Running 4 test cases... -203: -203: *** No errors detected -226: Running 5 test cases... -226: orca -226: xtp -229: Running 2 test cases... -229: -229: *** No errors detected -186/249 Test #215: unit_test_trustregion .............................. Passed 0.32 sec +224: Running 1 test case... +224: +224: *** No errors detected +231: Running 1 test case... +231: +231: *** No errors detected +224:  +209/249 Test #224: unit_test_dipoledipoleinteraction .................. Passed 1.36 sec test 235 Start 235: unit_test_newton_rapson 235: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_newton_rapson 235: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_newton_rapson 235: Test timeout computed to be: 1500 -191:  -187/249 Test #191: unit_test_orbitals ................................. Passed 0.63 sec -203:  -229:  -188/249 Test #229: unit_test_rate_engine .............................. Passed 0.16 sec -189/249 Test #203: unit_test_sphere_lebedev_rule ...................... Passed 0.48 sec +231:  +210/249 Test #231: unit_test_oscillatorstrength_filter ................ Passed 0.93 sec test 236 Start 236: unit_test_indexparser 236: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_indexparser 236: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_indexparser 236: Test timeout computed to be: 1500 +155: ..... [100%] +155: 5 passed in 3.56s +235: Running 1 test case... +235: +235: *** No errors detected +235:  +211/249 Test #235: unit_test_newton_rapson ............................ Passed 0.07 sec test 237 Start 237: unit_test_orbreorder 237: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_orbreorder 237: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_orbreorder 237: Test timeout computed to be: 1500 +212/249 Test #105: integration_Compare_csg_dump_gmx_tpr_output ........ Passed 0.28 sec test 238 Start 238: unit_test_molden 238: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_molden 238: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_molden 238: Test timeout computed to be: 1500 -235: Running 1 test case... -235: -235: *** No errors detected -235:  -61: This should be a number: -0.0413191 -61: This should be a number: -0.854333 -61: -61: Block No1 done! -61: Updating file: CG-CG.force -61: Updating files: CG-CG-CG.pot and: CG-CG-CG.force -61: -61: We are done, thank you very much! -226: -226: *** No errors detected -220: Running 9 test cases... -220: -220: *** No errors detected -218: Running 1 test case... -218: -218: *** No errors detected -218:  -236: Running 3 test cases... -236: -236: *** No errors detected -190/249 Test #61: integration_Run_csg_fmatch_3body ................... Passed 1.24 sec -191/249 Test #218: unit_test_grid ..................................... Passed 0.37 sec -192/249 Test #235: unit_test_newton_rapson ............................ Passed 0.08 sec -test 62 - Start 62: integration_Compare_csg_fmatch_3body_output1 - -62: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body" -62: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body -62: Test timeout computed to be: 1500 -test 63 - Start 63: integration_Compare_csg_fmatch_3body_output2 +106: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +108: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +213/249 Test #106: integration_Run_csg_dump_gmx_tpr_excl .............. Passed 0.55 sec +test 107 + Start 107: integration_Compare_csg_dump_gmx_tpr_excl_output -63: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body" -63: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body -63: Test timeout computed to be: 1500 -test 64 - Start 64: integration_Compare_csg_fmatch_3body_output3 +107: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_excl.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_excl.out" +107: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +107: Test timeout computed to be: 1500 +214/249 Test #108: integration_Run_csg_dump_gmx_tpr_cg ................ Passed 0.49 sec +test 109 + Start 109: integration_Compare_csg_dump_gmx_tpr_cg_output -64: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.pot" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body" -64: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body -64: Test timeout computed to be: 1500 -226:  -220:  -236:  -193/249 Test #220: unit_test_eeinteractor ............................. Passed 0.41 sec -194/249 Test #226: unit_test_orca ..................................... Passed 0.30 sec -195/249 Test #236: unit_test_indexparser .............................. Passed 0.12 sec +109: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_cg.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_cg.out" +109: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +109: Test timeout computed to be: 1500 +183: Running 1 test case... +183: +183: *** No errors detected +215/249 Test #107: integration_Compare_csg_dump_gmx_tpr_excl_output ... Passed 0.27 sec test 239 Start 239: unit_test_gaussianwriter 239: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gaussianwriter 239: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gaussianwriter 239: Test timeout computed to be: 1500 +183:  +216/249 Test #183: unit_test_espfit ................................... Passed 5.47 sec +217/249 Test #109: integration_Compare_csg_dump_gmx_tpr_cg_output ..... Passed 0.30 sec test 240 Start 240: unit_test_incrementalfockbuilder @@ -32637,52 +32772,55 @@ 241: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_parallelism 241: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_parallelism 241: Test timeout computed to be: 1500 -216: Running 2 test cases... -216: -216: *** No errors detected -240: Running 2 test cases... -240: -240: *** No errors detected -240:  -196/249 Test #240: unit_test_incrementalfockbuilder ................... Passed 0.03 sec +236: Running 3 test cases... +236: +236: *** No errors detected +233: Running 1 test case... +233: +233: *** No errors detected +232: Running 1 test case... +232: +232: *** No errors detected +237: Running 1 test case... +237: +237: *** No errors detected +232:  +218/249 Test #232: unit_test_localisation_filter ...................... Passed 0.85 sec test 242 Start 242: unit_test_anderson 242: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_anderson 242: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_anderson 242: Test timeout computed to be: 1500 -230: Running 1 test case... -230: -230: *** No errors detected -232: Running 1 test case... -232: -232: *** No errors detected -64: Comparing CG-CG-CG.pot and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body to a tolerance of 5e-05 -216:  -197/249 Test #216: unit_test_gnode .................................... Passed 0.51 sec +240: Running 2 test cases... +240: +240: *** No errors detected +240:  +237:  +233:  +236:  +241: Running 1 test case... +241: +241: *** No errors detected +212: Running 2 test cases... +212: +212: *** No errors detected +219/249 Test #233: unit_test_density_filter ........................... Passed 0.85 sec +220/249 Test #236: unit_test_indexparser .............................. Passed 0.61 sec +221/249 Test #237: unit_test_orbreorder ............................... Passed 0.58 sec +222/249 Test #240: unit_test_incrementalfockbuilder ................... Passed 0.16 sec test 243 Start 243: unit_test_gaussian_quadratures 243: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gaussian_quadratures 243: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gaussian_quadratures 243: Test timeout computed to be: 1500 -198/249 Test #64: integration_Compare_csg_fmatch_3body_output3 ....... Passed 0.07 sec test 244 Start 244: unit_test_pmlocalization 244: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_pmlocalization 244: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_pmlocalization 244: Test timeout computed to be: 1500 -62: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body to a tolerance of 5e-05 -241: Running 1 test case... -241: -241: *** No errors detected -241:  -206: Running 1 test case... -206: -206: *** No errors detected -199/249 Test #62: integration_Compare_csg_fmatch_3body_output1 ....... Passed 0.13 sec -200/249 Test #241: unit_test_parallelism .............................. Passed 0.05 sec test 245 Start 245: unit_test_activedensitymatrix @@ -32695,195 +32833,93 @@ 246: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_activedftengine 246: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_activedftengine 246: Test timeout computed to be: 1500 -232:  -63: Comparing CG-CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body to a tolerance of 5e-05 -153: histogram created using 4560 data-rows, written to file_interactions.txt -201/249 Test #232: unit_test_localisation_filter ...................... Passed 0.33 sec +241:  +212:  +110: starting mdrun 'Flex water' +110: 1 steps, 0.0 ps. +223/249 Test #212: unit_test_gw ....................................... Passed 3.38 sec +224/249 Test #241: unit_test_parallelism .............................. Passed 0.25 sec test 247 Start 247: unit_test_truncdftengine 247: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_truncdftengine 247: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_truncdftengine 247: Test timeout computed to be: 1500 -204: Running 2 test cases... -204: -204: *** No errors detected -231: Running 1 test case... -231: -231: *** No errors detected -202/249 Test #63: integration_Compare_csg_fmatch_3body_output2 ....... Passed 0.13 sec test 248 Start 248: unit_test_diabatization 248: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_diabatization 248: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_diabatization 248: Test timeout computed to be: 1500 -206:  -203/249 Test #206: unit_test_threecenter_dft .......................... Passed 0.67 sec +242: Running 1 test case... +242: +242: *** No errors detected +228: Running 1 test case... +228: +228: *** No errors detected +242:  +225/249 Test #242: unit_test_anderson ................................. Passed 0.39 sec test 249 Start 249: unit_test_transition_densities 249: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_transition_densities 249: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_transition_densities 249: Test timeout computed to be: 1500 -204/249 Test #156: unit_check_csg_xml.py .............................. Passed 1.12 sec -204:  -205/249 Test #204: unit_test_statetracker ............................. Passed 0.73 sec -242: Running 1 test case... -242: -242: *** No errors detected -230:  -206/249 Test #230: unit_test_DeltaQ_filter ............................ Passed 0.42 sec -231:  -207/249 Test #231: unit_test_oscillatorstrength_filter ................ Passed 0.41 sec -110: starting mdrun 'Flex water' -110: 1 steps, 0.0 ps. -242:  +228:  +226/249 Test #228: unit_test_bsecoupling .............................. Passed 2.08 sec +243: Running 4 test cases... +243: +243: *** No errors detected +243:  +227/249 Test #243: unit_test_gaussian_quadratures ..................... Passed 0.41 sec 239: Running 1 test case... 239: 239: *** No errors detected 239:  -208/249 Test #239: unit_test_gaussianwriter ........................... Passed 0.22 sec -209/249 Test #242: unit_test_anderson ................................. Passed 0.17 sec -233: Running 1 test case... -233: -233: *** No errors detected -249: Running 1 test case... -249: -243: Running 4 test cases... -243: -243: *** No errors detected -225: Running 2 test cases... -225: -225: *** No errors detected -233:  -210/249 Test #233: unit_test_density_filter ........................... Passed 0.58 sec +228/249 Test #239: unit_test_gaussianwriter ........................... Passed 0.67 sec +229/249 Test #155: unit_iie.py ........................................ Passed 6.86 sec 245: Running 1 test case... 245: 245: *** No errors detected -243:  -211/249 Test #243: unit_test_gaussian_quadratures ..................... Passed 0.33 sec -225:  245:  -212/249 Test #225: unit_test_populationanalysis ....................... Passed 0.72 sec -213/249 Test #245: unit_test_activedensitymatrix ...................... Passed 0.33 sec -199: Running 2 test cases... -199: -199: *** No errors detected -200: Running 1 test case... -200: -200: *** No errors detected -199:  -214/249 Test #199: unit_test_rpa ...................................... Passed 1.08 sec -207: Running 1 test case... -207: -207: *** No errors detected -189: Running 1 test case... -189: -189: *** No errors detected -200:  -215/249 Test #200: unit_test_rpa_h2p .................................. Passed 1.11 sec -237: Running 1 test case... -237: -237: *** No errors detected -189:  -237:  -207:  -216/249 Test #207: unit_test_threecenter_gwbse ........................ Passed 1.05 sec -217/249 Test #237: unit_test_orbreorder ............................... Passed 0.62 sec -218/249 Test #189: unit_test_vxc_grid ................................. Passed 1.37 sec -182: Running 2 test cases... -182: -182: *** No errors detected -182:  -219/249 Test #182: unit_test_eris ..................................... Passed 1.50 sec -224: Running 1 test case... -224: -224: *** No errors detected -209: Running 1 test case... -209: -209: *** No errors detected -224:  -220/249 Test #224: unit_test_dipoledipoleinteraction .................. Passed 1.01 sec -209:  -221/249 Test #209: unit_test_sigma_exact .............................. Passed 1.20 sec -248: Running 3 test cases... -248: -248: ... ... 2025-6-8 10:4:58 Data was created with basis set def2-svp -194: Running 1 test case... -194: -194: *** No errors detected -188: Running 1 test case... -188: -188: *** No errors detected -194:  -222/249 Test #194: unit_test_ppm ...................................... Passed 1.60 sec -249: ... ... 2025-6-8 10:4:58 Data was created with basis set def2-svp -249: *** No errors detected -249:  -223/249 Test #249: unit_test_transition_densities ..................... Passed 0.82 sec -188:  -224/249 Test #188: unit_test_vxc_potential ............................ Passed 1.81 sec -210: Running 1 test case... -210: -210: *** No errors detected -210:  -225/249 Test #210: unit_test_sigma_ppm ................................ Passed 1.54 sec -155: ..... [100%] -155: 5 passed in 0.92s -228: Running 1 test case... -228: -228: *** No errors detected -228:  -226/249 Test #228: unit_test_bsecoupling .............................. Passed 1.51 sec -180: Running 1 test case... -180: -180: *** No errors detected -213: Running 1 test case... -213: -213: *** No errors detected +230/249 Test #245: unit_test_activedensitymatrix ...................... Passed 0.91 sec 214: Running 7 test cases... 214: -214: ERROR 2025-6-8 10:4:58 Davidson Solver using 42 threads. -214: ERROR 2025-6-8 10:4:58 Tolerance : 0.0001 -214: ERROR 2025-6-8 10:4:58 DPR Correction -214: ERROR 2025-6-8 10:4:58 Matrix size : 400x400 -214: ERROR 2025-6-8 10:4:58 iter Search Space Norm -214: ERROR 2025-6-8 10:4:58 0 20 1.63e-04 50.00% converged -214: ERROR 2025-6-8 10:4:58 1 30 1.68e-09 100.00% converged -214: ERROR 2025-6-8 10:4:58 Davidson converged after 1 iterations. -214: ERROR 2025-6-8 10:4:58----------------------------------- -214: ERROR 2025-6-8 10:4:58- Davidson ran for 0.228199secs. -214: ERROR 2025-6-8 10:4:58----------------------------------- -213:  -180:  -227/249 Test #180: unit_test_ecpaobasis ............................... Passed 2.15 sec -228/249 Test #213: unit_test_bse_operator ............................. Passed 1.74 sec -229/249 Test #155: unit_iie.py ........................................ Passed 2.28 sec +214: ERROR 2024-5-7 6:26:51 Davidson Solver using 20 threads. +214: ERROR 2024-5-7 6:26:51 Tolerance : 0.0001 +214: ERROR 2024-5-7 6:26:51 DPR Correction +214: ERROR 2024-5-7 6:26:51 Matrix size : 400x400 +214: ERROR 2024-5-7 6:26:51 iter Search Space Norm +214: ERROR 2024-5-7 6:26:51 0 20 1.63e-04 50.00% converged +214: ERROR 2024-5-7 6:26:52 1 30 1.68e-09 100.00% converged +214: ERROR 2024-5-7 6:26:52 Davidson converged after 1 iterations. +214: ERROR 2024-5-7 6:26:52----------------------------------- +214: ERROR 2024-5-7 6:26:52- Davidson ran for 0.583579secs. +214: ERROR 2024-5-7 6:26:52----------------------------------- 234: Running 1 test case... 234: 234: *** No errors detected 234:  -230/249 Test #234: unit_test_overlap_filter ........................... Passed 1.64 sec +231/249 Test #234: unit_test_overlap_filter ........................... Passed 2.21 sec 110: 110: Writing final coordinates. -238: Running 2 test cases... -238: -238: *** No errors detected -238:  -231/249 Test #238: unit_test_molden ................................... Passed 1.71 sec +187: Running 2 test cases... +187: +187: *** No errors detected +187:  +232/249 Test #187: unit_test_densityintegration ....................... Passed 7.21 sec 110: -110: NOTE: 32 % of the run time was spent in pair search, +110: NOTE: 25 % of the run time was spent in pair search, 110: you might want to increase nstlist (this has no effect on accuracy) 110: 110: Core t (s) Wall t (s) (%) -110: Time: 23.132 1.446 1599.9 +110: Time: 15.296 1.912 800.0 110: (ns/day) (hour/ns) -110: Performance: 0.239 100.406 +110: Performance: 0.181 132.787 110: -110: GROMACS reminds you: "Everybody Wants to Be Naked and Famous" (Tricky) +110: GROMACS reminds you: "Bad As This Shit Is, This Shit Ain't As Bad As You Think It Is." (Jackie Brown) 110: -232/249 Test #110: integration_Run_gmx_mdrun .......................... Passed 2.62 sec +233/249 Test #110: integration_Run_gmx_mdrun .......................... Passed 3.45 sec test 111 Start 111: integration_Run_csg_map_gmx @@ -32896,142 +32932,142 @@ 113: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map "--top" "topol.tpr" "--trj" "traj_comp.xtc" "--out" "traj_comp.gro" "--no-map" "--nframes" "1" 113: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols 113: Test timeout computed to be: 1500 -113: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) -113: I have 9 beads in 3 molecules -113: Reading frame 0 time 0.000 -113: writing coarse-grained trajectory to traj_comp.gro -233/249 Test #113: integration_Run_csg_map_gmx_xtc .................... Passed 0.04 sec -test 114 - Start 114: integration_Compare_csg_map_gmx_xtc_output - -114: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj_comp.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" -114: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -114: Test timeout computed to be: 1500 111: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) 111: I have 9 beads in 3 molecules 111: trr version: GMX_trn_file (double precision) 111: Reading frame 0 time 0.000 111: writing coarse-grained trajectory to traj.gro -234/249 Test #111: integration_Run_csg_map_gmx ........................ Passed 0.11 sec +234/249 Test #111: integration_Run_csg_map_gmx ........................ Passed 0.20 sec test 112 Start 112: integration_Compare_csg_map_gmx_output 112: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" 112: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols 112: Test timeout computed to be: 1500 -212: Running 2 test cases... -212: -212: *** No errors detected -212:  +248: Running 3 test cases... +248: +248: ... ... 2024-5-7 6:26:53 Data was created with basis set def2-svp +113: Reading file topol.tpr, VERSION 2024.1-Debian_2024.1_1+b1 (double precision) +113: I have 9 beads in 3 molecules +113: Reading frame 0 time 0.000 +113: writing coarse-grained trajectory to traj_comp.gro +235/249 Test #113: integration_Run_csg_map_gmx_xtc .................... Passed 0.29 sec +test 114 + Start 114: integration_Compare_csg_map_gmx_xtc_output + +114: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj_comp.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" +114: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +114: Test timeout computed to be: 1500 +249: Running 1 test case... +249: 112: Comparing traj.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro to a tolerance of 5e-05 +236/249 Test #112: integration_Compare_csg_map_gmx_output ............. Passed 0.44 sec 114: Comparing traj_comp.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro to a tolerance of 5e-05 -235/249 Test #212: unit_test_gw ....................................... Passed 2.34 sec -236/249 Test #112: integration_Compare_csg_map_gmx_output ............. Passed 0.08 sec -237/249 Test #114: integration_Compare_csg_map_gmx_xtc_output ......... Passed 0.14 sec -187: Running 2 test cases... -187: -187: *** No errors detected -187:  -238/249 Test #187: unit_test_densityintegration ....................... Passed 2.77 sec -183: Running 1 test case... -183: -183: *** No errors detected -183:  -239/249 Test #183: unit_test_espfit ................................... Passed 3.07 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt -214: -214: ERROR 2025-6-8 10:4:59 Davidson Solver using 42 threads. -214: ERROR 2025-6-8 10:4:59 Tolerance : 0.0001 -214: ERROR 2025-6-8 10:4:59 DPR Correction -214: ERROR 2025-6-8 10:4:59 Matrix size : 240x240 -214: ERROR 2025-6-8 10:4:59 iter Search Space Norm -214: ERROR 2025-6-8 10:4:59 0 10 9.85e-02 0.00% converged -214: ERROR 2025-6-8 10:4:59 1 17 1.23e-03 0.00% converged -214: ERROR 2025-6-8 10:4:59 2 24 2.34e-05 100.00% converged -214: ERROR 2025-6-8 10:4:59 Davidson converged after 2 iterations. -214: ERROR 2025-6-8 10:4:59----------------------------------- -214: ERROR 2025-6-8 10:4:59- Davidson ran for 0.255274secs. -214: ERROR 2025-6-8 10:4:59----------------------------------- -214: *** No errors detected -214:  -240/249 Test #214: unit_test_davidson ................................. Passed 3.04 sec -248: ... ... 2025-6-8 10:4:58 Using RI +237/249 Test #114: integration_Compare_csg_map_gmx_xtc_output ......... Passed 0.59 sec +249: ... ... 2024-5-7 6:26:53 Data was created with basis set def2-svp +249: *** No errors detected +249:  +238/249 Test #249: unit_test_transition_densities ..................... Passed 3.13 sec +238: Running 2 test cases... +238: +238: *** No errors detected +238:  +239/249 Test #238: unit_test_molden ................................... Passed 4.35 sec 168: Running 3 test cases... 168: 168: *** No errors detected 168:  -241/249 Test #168: unit_test_aopotential .............................. Passed 3.62 sec +240/249 Test #168: unit_test_aopotential .............................. Passed 11.88 sec +214: +214: ERROR 2024-5-7 6:26:54 Davidson Solver using 20 threads. +214: ERROR 2024-5-7 6:26:54 Tolerance : 0.0001 +214: ERROR 2024-5-7 6:26:54 DPR Correction +214: ERROR 2024-5-7 6:26:54 Matrix size : 240x240 +214: ERROR 2024-5-7 6:26:54 iter Search Space Norm +214: ERROR 2024-5-7 6:26:55 0 10 9.85e-02 0.00% converged +214: ERROR 2024-5-7 6:26:55 1 17 1.23e-03 0.00% converged +214: ERROR 2024-5-7 6:26:55 2 24 2.34e-05 100.00% converged +214: ERROR 2024-5-7 6:26:55 Davidson converged after 2 iterations. +214: ERROR 2024-5-7 6:26:55----------------------------------- +214: ERROR 2024-5-7 6:26:55- Davidson ran for 0.675445secs. +214: ERROR 2024-5-7 6:26:55----------------------------------- +214: *** No errors detected +153: histogram created using 4560 data-rows, written to file_interactions.txt +214:  +241/249 Test #214: unit_test_davidson ................................. Passed 9.56 sec 246: Running 1 test case... 246: 246: *** No errors detected 246:  -242/249 Test #246: unit_test_activedftengine .......................... Passed 3.37 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt +242/249 Test #246: unit_test_activedftengine .......................... Passed 7.11 sec 211: Running 1 test case... 211: 211: *** No errors detected 211:  -243/249 Test #211: unit_test_sigma_cda ................................ Passed 5.36 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt +243/249 Test #211: unit_test_sigma_cda ................................ Passed 11.45 sec +248: ... ... 2024-5-7 6:26:53 Using RI 247: Running 1 test case... 247: 247: *** No errors detected 247:  -244/249 Test #247: unit_test_truncdftengine ........................... Passed 6.55 sec +244/249 Test #247: unit_test_truncdftengine ........................... Passed 13.13 sec 244: Running 2 test cases... 244: 244: *** No errors detected 244:  -245/249 Test #244: unit_test_pmlocalization ........................... Passed 6.68 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt -248: ... ... 2025-6-8 10:5:0 Data was created with basis set def2-svp -248: ... ... 2025-6-8 10:5:5 Dipole Moment excited state 1 0.0214404 -0.239573 -2.74726e-05 -248: ... ... 2025-6-8 10:5:5 Dipole Moment excited state 2 0.154532 -0.885145 -1.99557e-05 -248: ... ... 2025-6-8 10:5:5 Data was created with basis set def2-svp +245/249 Test #244: unit_test_pmlocalization ........................... Passed 14.78 sec 153: histogram created using 4560 data-rows, written to file_interactions.txt 176: Running 1 test case... 176: 176: *** No errors detected 176:  -246/249 Test #176: unit_test_bse ...................................... Passed 9.26 sec +246/249 Test #176: unit_test_bse ...................................... Passed 23.72 sec +153: histogram created using 4560 data-rows, written to file_interactions.txt +248: ... ... 2024-5-7 6:27:0 Data was created with basis set def2-svp +248: ... ... 2024-5-7 6:27:12 Dipole Moment excited state 1 0.0214404 -0.239573 -2.74726e-05 +248: ... ... 2024-5-7 6:27:13 Dipole Moment excited state 2 0.154532 -0.885145 -1.99557e-05 +248: ... ... 2024-5-7 6:27:13 Data was created with basis set def2-svp 153: histogram created using 4560 data-rows, written to file_interactions.txt 153: histogram created using 4560 data-rows, written to file_interactions.txt -153: -153: *** No errors detected -153:  -247/249 Test #153: unit_test_tabulatedpotential ....................... Passed 10.60 sec -248: ... ... 2025-6-8 10:5:5 Transition Dipole Moment 0.754728 0.131574 9.25604e-06 -248: ... ... 2025-6-8 10:5:8 Fragment 1 ground state 9.60042e-07 -248: ... ... 2025-6-8 10:5:8 Fragment 2 ground state -4.64864e-06 -248: ... ... 2025-6-8 10:5:8 Fragment 1 poulation electron -0.4994 -248: ... ... 2025-6-8 10:5:8 Fragment 1 poulation hole 0.4994 -248: ... ... 2025-6-8 10:5:8 Fragment 2 poulation electron -0.500599 -248: ... ... 2025-6-8 10:5:8 Fragment 2 poulation hole 0.5006 227: Running 2 test cases... 227: 227: *** No errors detected 227:  -248/249 Test #227: unit_test_dftengine ................................ Passed 12.69 sec -248: ... ... 2025-6-8 10:5:8 dQ11 -1.41042e-06 -248: ... ... 2025-6-8 10:5:10 Fragment 1 poulation electron -0.500138 -248: ... ... 2025-6-8 10:5:10 Fragment 1 poulation hole 0.500138 -248: ... ... 2025-6-8 10:5:10 dQ22 -2.05877e-06 -248: ... ... 2025-6-8 10:5:10 Data was created with basis set def2-svp -248: ... ... 2025-6-8 10:5:10 Fragment 1 transition -1.13604e-07 -248: ... ... 2025-6-8 10:5:10 Fragment 2 transition -9.55366e-08 -248: ... ... 2025-6-8 10:5:10 dQ12 -1.80674e-08 +247/249 Test #227: unit_test_dftengine ................................ Passed 33.47 sec +153: histogram created using 4560 data-rows, written to file_interactions.txt +248: ... ... 2024-5-7 6:27:13 Transition Dipole Moment 0.754728 0.131574 9.25604e-06 +248: ... ... 2024-5-7 6:27:23 Fragment 1 ground state 9.60042e-07 +248: ... ... 2024-5-7 6:27:23 Fragment 2 ground state -4.64864e-06 +248: ... ... 2024-5-7 6:27:23 Fragment 1 poulation electron -0.4994 +248: ... ... 2024-5-7 6:27:23 Fragment 1 poulation hole 0.4994 +248: ... ... 2024-5-7 6:27:23 Fragment 2 poulation electron -0.500599 +248: ... ... 2024-5-7 6:27:23 Fragment 2 poulation hole 0.5006 +153: histogram created using 4560 data-rows, written to file_interactions.txt +153: histogram created using 4560 data-rows, written to file_interactions.txt +153: +153: *** No errors detected +153:  +248/249 Test #153: unit_test_tabulatedpotential ....................... Passed 44.20 sec +248: ... ... 2024-5-7 6:27:23 dQ11 -1.41042e-06 +248: ... ... 2024-5-7 6:27:31 Fragment 1 poulation electron -0.500138 +248: ... ... 2024-5-7 6:27:31 Fragment 1 poulation hole 0.500138 +248: ... ... 2024-5-7 6:27:31 dQ22 -2.05877e-06 +248: ... ... 2024-5-7 6:27:31 Data was created with basis set def2-svp +248: ... ... 2024-5-7 6:27:32 Fragment 1 transition -1.13604e-07 +248: ... ... 2024-5-7 6:27:32 Fragment 2 transition -9.55366e-08 +248: ... ... 2024-5-7 6:27:32 dQ12 -1.80674e-08 248: *** No errors detected 248:  -249/249 Test #248: unit_test_diabatization ............................ Passed 12.96 sec +249/249 Test #248: unit_test_diabatization ............................ Passed 41.16 sec 100% tests passed, 0 tests failed out of 249 -Total Test time (real) = 14.38 sec +Total Test time (real) = 50.34 sec make[1]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp dh_prep dh_auto_install - cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/votca-2024/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/votca-2024/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/votca-2024 -B/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall @@ -33345,644 +33381,644 @@ -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/template/CMakeLists.txt -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/methanol.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/Extract_Energies.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/methanol_opls.itp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/Extract_Energies.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/rdf_methanol.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/topol.top -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/topol.top -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/Extract_Energies.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/fmatch.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/methanol.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/run.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/rdf_methanol.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/grompp2.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/settings.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/index.ndx -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/grompp0.mdp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/Extract_Energies.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/grompp3.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/grompp2.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/rdf_methanol.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/grompp0.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/index.ndx -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/imc_gromacs-remd/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/methanol.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/fmatch.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/methanol_opls.itp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/methanol.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/Extract_Energies.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/run.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/Extract_Energies.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/rdf_methanol.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/topol.top -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/topol.top -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/Extract_Energies.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/run.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/README.rst --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2 --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/LJ2-LJ2.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ2.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/settings_pre.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/svd.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ1.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/index.ndx --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/Extract_Energies.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/index.ndx --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/CG-CG.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/imc/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/pot.ibm --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/pot.fm --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/allplots.gp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/pot.imc --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/index.ndx --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/CG-CG.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/spce.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/CG-CG.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/spce.data --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/conf.gro --- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/force_matching/water.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/force_matching/fmatch.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/force_matching/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_pressure_wjk/Extract_Energies.sh --- 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+-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/single_chain/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic/bond.dist.new +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic/A-B.dist.new +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic/fmatch.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/atomistic/A-A.dist.new +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/WT-WT.aa.rdf +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-WT.aa.rdf -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-ME.aa.rdf +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/index.ndx -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/WT-WT.param.init +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/conf.gro -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-WT.param.init --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/topol.top -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-ME.param.init --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/ME-WT.aa.rdf --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/WT-WT.aa.rdf --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/index.ndx -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/re/run.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/WT-WT.aa.rdf +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-WT.aa.rdf +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/index.ndx -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_WT_WT.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.prep.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-ME.aa.rdf --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-WT.simplex.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.prep.mdp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-ME.simplex.in -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/methanol_opls.itp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/methanol.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/water.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_ME_WT.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.938 +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/water.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.938/atomistic/grompp.mdp +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/WT-WT.aa.rdf +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/ME-WT.aa.rdf -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/ME-ME.aa.rdf +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/re/table.xvg +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.ibm +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.imc +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.fm +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps/spce.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/CG-CG.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/Extract_Energies.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_gromacs-multi/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso/CG-CG.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso/topol.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso/spce.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_espresso/spce.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple +-- Installing: 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+-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/grompp.prep.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/CG-CG.simplex.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/CG-CG.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/function_CKDg.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/function_rdf_weight.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/conf.gro +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/rdf_CG_CG_aim.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/grompp.prep.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/CG-CG.simplex.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/cma +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/cma/density/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/CG-CG.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/CONFIG +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/OUTPUT +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/CONTROL +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_dlpoly/FIELD +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/CG-CG.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/Extract_Energies.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/CG-CG.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/spce.data +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/ibi_lammps/spce.in -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/include/votca/xtp/votca_xtp_config.h -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/include/votca/xtp/ERIs.h -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/include/votca/xtp/GaussianQuadratureBase.h @@ -34249,256 +34285,256 @@ -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/xtp_benchmark -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Benzene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Pentacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Tetracene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Naphthalene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Hexacene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Octacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Tetracene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Hexacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Nonacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Decacene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Anthracene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Heptacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Decacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Nonacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Benzene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Pentacene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/cytosine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/uracil.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/adenine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/thymine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/adenine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/uracil.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/thymine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/cytosine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/naphthalene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrrole.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/imidazole.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/xtp_benchmark -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/README.rst -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp/PYXTP.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4 +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/methane.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/dftgwbse2.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/methane.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp/PYXTP.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/single_point.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/geometry_optimization.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/dftgwbse.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_h.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_e.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_s1.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n2s1.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.orb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/state.hdf5 +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/mapchecker.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane_summary.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/system.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_mapchecker.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_energy.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_optimization.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_gradient.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LICENSE -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/GROMACS_KMC.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/change_energy.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/lifetimes.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QMMM_GROMACS.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/iqm.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm_mm.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_e.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_h.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_e.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_s1.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n2s1.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/iqm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QMMM_GROMACS.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/conf.gro -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/topol.tpr +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/system.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES/methane.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/system.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/eqm.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/change_energy.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/lifetimes.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/GROMACS_KMC.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LICENSE +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm_mm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/clean_notebooks.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/state.hdf5 --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/system.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QMMM_LAMMPS.ipynb --- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/molpol.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.vpot --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.gbw -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.inp +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/polar.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_n.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/log2mps.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/molpol.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n-pol.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.inp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/polar.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n-pol.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/molpol.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/log2mps.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.prop -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/polar.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_h.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_n.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_e.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/iqm.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/traj.dump --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MD_FILES/newfile.data -- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_h.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.opt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.trj --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.engrad --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/GS_opt/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_n.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.opt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.trj --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.engrad --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.log --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/system.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.log -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.log +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.log +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.inp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.log +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.inp +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system_property.txt -- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_mapchecker.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_energy.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_optimization.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_gradient.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/geometry_optimization.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm_mm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/state.hdf5 +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/system.xml make[1]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' dh_install debian/rules override_dh_installdocs @@ -34532,12 +34568,12 @@ dh_md5sums dh_builddeb dpkg-deb: building package 'libvotca-dev' in '../libvotca-dev_2024-2_amd64.deb'. -dpkg-deb: building package 'libvotca-2024' in '../libvotca-2024_2024-2_amd64.deb'. dpkg-deb: building package 'libvotca-2024-dbgsym' in '../libvotca-2024-dbgsym_2024-2_amd64.deb'. -dpkg-deb: building package 'votca-data' in '../votca-data_2024-2_all.deb'. dpkg-deb: building package 'votca-tutorials' in '../votca-tutorials_2024-2_all.deb'. +dpkg-deb: building package 'libvotca-2024' in '../libvotca-2024_2024-2_amd64.deb'. dpkg-deb: building package 'votca' in '../votca_2024-2_amd64.deb'. dpkg-deb: building package 'votca-dbgsym' in '../votca-dbgsym_2024-2_amd64.deb'. +dpkg-deb: building package 'votca-data' in '../votca-data_2024-2_all.deb'. dpkg-genbuildinfo --build=binary -O../votca_2024-2_amd64.buildinfo dpkg-genchanges --build=binary -O../votca_2024-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -34545,12 +34581,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/303341/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/1102727 and its subdirectories -I: Current time: Sun Jun 8 10:07:58 -12 2025 -I: pbuilder-time-stamp: 1749420478 +I: removing directory /srv/workspace/pbuilder/303341 and its subdirectories +I: Current time: Tue May 7 06:36:59 +14 2024 +I: pbuilder-time-stamp: 1715013419